bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine

C200H275ClN24O2S2 — CID 158779001

About bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine

bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine (PubChem CID 158779001) has the molecular formula C200H275ClN24O2S2 and a molecular weight of 3147.15 g/mol. Its IUPAC name is bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine.

Molecular Properties

• Compound Name: bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine
• PubChem CID: 158779001
• Molecular Formula: C200H275ClN24O2S2
• Molecular Weight: 3147.15 g/mol
• Exact Mass: 3144.13
• IUPAC Name: bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine
• SMILES: CC(C)(C)CC(=O)Cc1ccccc1N.CC(C)(C)CC(=O)Cc1ccccc1N.CC(C)(C)CCCc1ccccc1.CC(C)(C)CCCc1ccccc1N.CC(C)(C)Cc1cc2c(N)cccc2cc1N.CC(C)(C)Cc1cc2c(N)ncnc2s1.CC(C)(C)Cc1cc2cccc(N)c2cc1N.CC(C)(C)Cc1cc2cccc(N)c2cc1N.CC(C)(C)Cc1cc2cnccc2[nH]1.CC(C)(C)Cc1cc2ncnc(N)c2s1.CC(C)(C)Cc1ccc2c(N)cccc2c1.CC(C)(C)Cc1ccc2c(N)ccnc2c1.CC(C)Cc1ccc2c(N)cccc2c1.CC(C)Cc1ccc2c(N)ccnc2c1.Cc1nccc(CCCC(C)(C)C)c1Cl
• InChI: InChI=1S/3C15H20N2.C15H19N.C14H18N2.C14H17N.C13H20ClN.C13H16N2.2C13H19NO.C13H21N.C13H20.C12H16N2.2C11H15N3S/c1-15(2,3)9-11-7-12-10(8-14(11)17)5-4-6-13(12)16;2*1-15(2,3)9-11-7-10-5-4-6-13(16)12(10)8-14(11)17;1-15(2,3)10-11-7-8-13-12(9-11)5-4-6-14(13)16;1-14(2,3)9-10-4-5-11-12(15)6-7-16-13(11)8-10;1-10(2)8-11-6-7-13-12(9-11)4-3-5-14(13)15;1-10-12(14)11(7-9-15-10)6-5-8-13(2,3)4;1-9(2)7-10-3-4-11-12(14)5-6-15-13(11)8-10;2*1-13(2,3)9-11(15)8-10-6-4-5-7-12(10)14;1-13(2,3)10-6-8-11-7-4-5-9-12(11)14;1-13(2,3)11-7-10-12-8-5-4-6-9-12;1-12(2,3)7-10-6-9-8-13-5-4-11(9)14-10;1-11(2,3)5-7-4-8-9(15-7)10(12)14-6-13-8;1-11(2,3)5-7-4-8-9(12)13-6-14-10(8)15-7/h3*4-8H,9,16-17H2,1-3H3;4-9H,10,16H2,1-3H3;4-8H,9H2,1-3H3,(H2,15,16);3-7,9-10H,8,15H2,1-2H3;7,9H,5-6,8H2,1-4H3;3-6,8-9H,7H2,1-2H3,(H2,14,15);2*4-7H,8-9,14H2,1-3H3;4-5,7,9H,6,8,10,14H2,1-3H3;4-6,8-9H,7,10-11H2,1-3H3;4-6,8,14H,7H2,1-3H3;2*4,6H,5H2,1-3H3,(H2,12,13,14)
• InChIKey: IQVIWXXLJYUFTA-UHFFFAOYSA-N
• XLogP: 51.44
• TPSA: 543.35 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3147.15
LogP ≤ 5	51.44
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine?

The IUPAC name of bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine (CID 158779001) is bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine.

What is the SMILES notation for bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine?

The canonical SMILES for bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine is CC(C)(C)CC(=O)Cc1ccccc1N.CC(C)(C)CC(=O)Cc1ccccc1N.CC(C)(C)CCCc1ccccc1.CC(C)(C)CCCc1ccccc1N.CC(C)(C)Cc1cc2c(N)cccc2cc1N.CC(C)(C)Cc1cc2c(N)ncnc2s1.CC(C)(C)Cc1cc2cccc(N)c2cc1N.CC(C)(C)Cc1cc2cccc(N)c2cc1N.CC(C)(C)Cc1cc2cnccc2[nH]1.CC(C)(C)Cc1cc2ncnc(N)c2s1.CC(C)(C)Cc1ccc2c(N)cccc2c1.CC(C)(C)Cc1ccc2c(N)ccnc2c1.CC(C)Cc1ccc2c(N)cccc2c1.CC(C)Cc1ccc2c(N)ccnc2c1.Cc1nccc(CCCC(C)(C)C)c1Cl.

What is the InChIKey of bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine?

The InChIKey is IQVIWXXLJYUFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H20N2.C15H19N.C14H18N2.C14H17N.C13H20ClN.C13H16N2.2C13H19NO.C13H21N.C13H20.C12H16N2.2C11H15N3S/c1-15(2,3)9-11-7-12-10(8-14(11)17)5-4-6-13(12)16;2*1-15(2,3)9-11-7-10-5-4-6-13(16)12(10)8-14(11)17;1-15(2,3)10-11-7-8-13-12(9-11)5-4-6-14(13)16;1-14(2,3)9-10-4-5-11-12(15)6-7-16-13(11)8-10;1-10(2)8-11-6-7-13-12(9-11)4-3-5-14(13)15;1-10-12(14)11(7-9-15-10)6-5-8-13(2,3)4;1-9(2)7-10-3-4-11-12(14)5-6-15-13(11)8-10;2*1-13(2,3)9-11(15)8-10-6-4-5-7-12(10)14;1-13(2,3)10-6-8-11-7-4-5-9-12(11)14;1-13(2,3)11-7-10-12-8-5-4-6-9-12;1-12(2,3)7-10-6-9-8-13-5-4-11(9)14-10;1-11(2,3)5-7-4-8-9(15-7)10(12)14-6-13-8;1-11(2,3)5-7-4-8-9(12)13-6-14-10(8)15-7/h3*4-8H,9,16-17H2,1-3H3;4-9H,10,16H2,1-3H3;4-8H,9H2,1-3H3,(H2,15,16);3-7,9-10H,8,15H2,1-2H3;7,9H,5-6,8H2,1-4H3;3-6,8-9H,7H2,1-2H3,(H2,14,15);2*4-7H,8-9,14H2,1-3H3;4-5,7,9H,6,8,10,14H2,1-3H3;4-6,8-9H,7,10-11H2,1-3H3;4-6,8,14H,7H2,1-3H3;2*4,6H,5H2,1-3H3,(H2,12,13,14).

What are the key properties of bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine?

bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine has a molecular weight of 3147.15 g/mol, XLogP of 51.44, 27 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(2-aminophenyl)-4,4-dimethylpentan-2-one);3-chloro-4-(4,4-dimethylpentyl)-2-methylpyridine;2-(4,4-dimethylpentyl)aniline;4,4-dimethylpentylbenzene;6-(2,2-dimethylpropyl)naphthalen-1-amine;bis(6-(2,2-dimethylpropyl)naphthalene-1,7-diamine);7-(2,2-dimethylpropyl)naphthalene-1,6-diamine;2-(2,2-dimethylpropyl)-1H-pyrrolo[3,2-c]pyridine;7-(2,2-dimethylpropyl)quinolin-4-amine;6-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,2-dimethylpropyl)thieno[3,2-d]pyrimidin-4-amine;6-(2-methylpropyl)naphthalen-1-amine;7-(2-methylpropyl)quinolin-4-amine is sourced from PubChem (CID 158779001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).