3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene

C122H180N2 — CID 162269059

About 3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene

3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene (PubChem CID 162269059) has the molecular formula C122H180N2 and a molecular weight of 1674.80 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene.

Molecular Properties

• Compound Name: 3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene
• PubChem CID: 162269059
• Molecular Formula: C122H180N2
• Molecular Weight: 1674.80 g/mol
• Exact Mass: 1673.41
• IUPAC Name: 3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene
• SMILES: C.C.C.C.C.C.CC(C)(C)Cc1c[nH]c2ccccc12.CC(C)(C)Cc1ccc[nH]1.CC(C)CC1CCCCC1.CC(C)CCc1ccc(-c2ccccc2)cc1.CC(C)CCc1ccccc1.CC(C)Cc1ccc(-c2ccccc2)cc1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1cccc2ccccc12.Cc1ccc(CCC(C)C)cc1
• InChI: InChI=1S/C17H20.C16H18.2C14H16.C13H17N.C12H18.C11H16.C10H20.C9H15N.6CH4/c1-14(2)8-9-15-10-12-17(13-11-15)16-6-4-3-5-7-16;1-13(2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-13(2,3)8-10-9-14-12-7-5-4-6-11(10)12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-9(2,3)7-8-5-4-6-10-8;;;;;;/h3-7,10-14H,8-9H2,1-2H3;3-11,13H,12H2,1-2H3;3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;4-7,9,14H,8H2,1-3H3;5-6,8-10H,4,7H2,1-3H3;3-7,10H,8-9H2,1-2H3;9-10H,3-8H2,1-2H3;4-6,10H,7H2,1-3H3;6*1H4
• InChIKey: USDPEKNEOCPFCZ-UHFFFAOYSA-N
• XLogP: 38.22
• TPSA: 31.58 Ų
• H-Bond Donors: 2
• Rotatable Bonds: 21
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1674.80
LogP ≤ 5	38.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene?

The IUPAC name of 3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene (CID 162269059) is 3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene.

What is the SMILES notation for 3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene?

The canonical SMILES for 3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene is C.C.C.C.C.C.CC(C)(C)Cc1c[nH]c2ccccc12.CC(C)(C)Cc1ccc[nH]1.CC(C)CC1CCCCC1.CC(C)CCc1ccc(-c2ccccc2)cc1.CC(C)CCc1ccccc1.CC(C)Cc1ccc(-c2ccccc2)cc1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1cccc2ccccc12.Cc1ccc(CCC(C)C)cc1.

What is the InChIKey of 3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene?

The InChIKey is USDPEKNEOCPFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C16H18.2C14H16.C13H17N.C12H18.C11H16.C10H20.C9H15N.6CH4/c1-14(2)8-9-15-10-12-17(13-11-15)16-6-4-3-5-7-16;1-13(2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-13(2,3)8-10-9-14-12-7-5-4-6-11(10)12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-9(2,3)7-8-5-4-6-10-8;;;;;;/h3-7,10-14H,8-9H2,1-2H3;3-11,13H,12H2,1-2H3;3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;4-7,9,14H,8H2,1-3H3;5-6,8-10H,4,7H2,1-3H3;3-7,10H,8-9H2,1-2H3;9-10H,3-8H2,1-2H3;4-6,10H,7H2,1-3H3;6*1H4.

What are the key properties of 3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene?

3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene has a molecular weight of 1674.80 g/mol, XLogP of 38.22, 21 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene is sourced from PubChem (CID 162269059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).