3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride

C50H80Br2ClN10- — CID 162111468

IUPAC3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride
SMILESC=Cc1cncc(C=C)c1N.CC(C)(C)Cc1cncc(CC(C)(C)C)c1N.CN1CC(CC(C)(C)C)C(N)C(CC(C)(C)C)C1.Nc1c(Br)cncc1Br.Nc1ccncc1.[Cl-]
InChIInChI=1S/C16H34N2.C15H26N2.C9H10N2.C5H4Br2N2.C5H6N2.ClH/c1-15(2,3)8-12-10-18(7)11-13(14(12)17)9-16(4,5)6;1-14(2,3)7-11-9-17-10-12(13(11)16)8-15(4,5)6;1-3-7-5-11-6-8(4-2)9(7)10;6-3-1-9-2-4(7)5(3)8;6-5-1-3-7-4-2-5;/h12-14H,8-11,17H2,1-7H3;9-10H,7-8H2,1-6H3,(H2,16,17);3-6H,1-2H2,(H2,10,11);1-2H,(H2,8,9);1-4H,(H2,6,7);1H/p-1
InChIKeyWRFBHDMPEATRLZ-UHFFFAOYSA-M
MW1016.52 g/mol
LogP9.01
Rot. Bonds6

About 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride

3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride (PubChem CID 162111468) has the molecular formula C50H80Br2ClN10- and a molecular weight of 1016.52 g/mol. Its IUPAC name is 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride.

Molecular Properties

Compound Name3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride
PubChem CID162111468
Molecular FormulaC50H80Br2ClN10-
Molecular Weight1016.52 g/mol
Exact Mass1013.46
IUPAC Name3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride
SMILESC=Cc1cncc(C=C)c1N.CC(C)(C)Cc1cncc(CC(C)(C)C)c1N.CN1CC(CC(C)(C)C)C(N)C(CC(C)(C)C)C1.Nc1c(Br)cncc1Br.Nc1ccncc1.[Cl-]
InChIInChI=1S/C16H34N2.C15H26N2.C9H10N2.C5H4Br2N2.C5H6N2.ClH/c1-15(2,3)8-12-10-18(7)11-13(14(12)17)9-16(4,5)6;1-14(2,3)7-11-9-17-10-12(13(11)16)8-15(4,5)6;1-3-7-5-11-6-8(4-2)9(7)10;6-3-1-9-2-4(7)5(3)8;6-5-1-3-7-4-2-5;/h12-14H,8-11,17H2,1-7H3;9-10H,7-8H2,1-6H3,(H2,16,17);3-6H,1-2H2,(H2,10,11);1-2H,(H2,8,9);1-4H,(H2,6,7);1H/p-1
InChIKeyWRFBHDMPEATRLZ-UHFFFAOYSA-M
XLogP9.01
TPSA184.90 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.52
LogP ≤ 59.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride with MolForge

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Launch Full Analysis

Related Compounds

1-(3-tert-butyl-4-pyridinyl)-5-methylpiperidin-3-amine;(3S,5R)-1-(3-tert-butyl-4-pyridinyl)-5-methylpiperidin-3-amine;(3R,5S)-1-(3-tert-butyl-4-pyridinyl)-5-methylpiperidin-3-amine;1-(3-tert-butyl-4-pyridinyl)piperidin-3-amine;(3R)-1-(3-tert-butyl-4-pyridinyl)piperidin-3-amine;(3S)-1-(3-tert-butyl-4-pyridinyl)piperidin-3-amine;1-(3-tert-butyl-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-amine
CID 160856607
3-(1-Pyridin-4-ylpiperidin-2-yl)propan-1-amine;3-(4-pyridin-2-ylpyridin-1-ium-1-yl)propan-1-amine;bromide;hydrobromide
CID 22118992
N'-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-N'-[3-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methylamino]propyl]propane-1,3-diamine;2-(4-methyl-2-pyridinyl)-4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridine
CID 70240612
3-(1-Pyridin-4-ylpiperidin-3-yl)propan-1-amine;3-(4-pyridin-2-ylpyridin-1-ium-1-yl)propan-1-amine;bromide;hydrobromide
CID 70293074
2-Bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine
CID 87579451
9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole
CID 142806813
5-bromo-2-methylpyridine;2,5-dibromopyridine;(1S)-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 157396564
3,5-bis(2,2-dimethylpropyl)-N,N-dimethylpyridin-4-amine;3,5-bis(2,2-dimethylpropyl)-N,N,1-trimethylpiperidin-4-amine;3,5-bis(ethenyl)-N,N-dimethylpyridin-4-amine;3,5-dibromo-4-chloropyridine;3,5-dibromo-N,N-dimethylpyridin-4-amine;3,5-dibromopyridin-4-amine;chloride
CID 157470592
CID 157504133
CID 157504133
2-Bromo-3-methyl-5-propan-2-ylpyridine;2-bromo-3-methyl-6-propan-2-ylpyridine;2-bromo-4-methyl-3-propan-2-ylpyridine;2-bromo-4-methyl-6-propan-2-ylpyridine;2-bromo-5-methyl-3-propan-2-ylpyridine;2-bromo-6-methyl-3-propan-2-ylpyridine;3-bromo-2-methyl-5-propan-2-ylpyridine;3-bromo-2-methyl-6-propan-2-ylpyridine;3-bromo-4-methyl-2-propan-2-ylpyridine;3-bromo-4-methyl-5-propan-2-ylpyridine;3-bromo-5-methyl-2-propan-2-ylpyridine;3-bromo-6-methyl-2-propan-2-ylpyridine;4-bromo-2-methyl-3-propan-2-ylpyridine;4-bromo-2-methyl-5-propan-2-ylpyridine;4-bromo-2-methyl-6-propan-2-ylpyridine;4-bromo-3-methyl-2-propan-2-ylpyridine;4-bromo-3-methyl-5-propan-2-ylpyridine;4-bromo-5-methyl-2-propan-2-ylpyridine;5-bromo-2-methyl-3-propan-2-ylpyridine;5-bromo-3-methyl-2-propan-2-ylpyridine;5-bromo-4-methyl-2-propan-2-ylpyridine;6-bromo-2-methyl-3-propan-2-ylpyridine;6-bromo-3-methyl-2-propan-2-ylpyridine
CID 157506962
8-Bromo-1,2,3,4-tetrahydro-1,6-naphthyridine;1,6-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine-8-carbonitrile;1,2,3,4-tetrahydro-1,6-naphthyridin-8-ylmethanamine
CID 157644870
2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine
CID 158027826

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride?
The IUPAC name of 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride (CID 162111468) is 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride.
What is the SMILES notation for 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride?
The canonical SMILES for 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride is C=Cc1cncc(C=C)c1N.CC(C)(C)Cc1cncc(CC(C)(C)C)c1N.CN1CC(CC(C)(C)C)C(N)C(CC(C)(C)C)C1.Nc1c(Br)cncc1Br.Nc1ccncc1.[Cl-].
What is the InChIKey of 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride?
The InChIKey is WRFBHDMPEATRLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H34N2.C15H26N2.C9H10N2.C5H4Br2N2.C5H6N2.ClH/c1-15(2,3)8-12-10-18(7)11-13(14(12)17)9-16(4,5)6;1-14(2,3)7-11-9-17-10-12(13(11)16)8-15(4,5)6;1-3-7-5-11-6-8(4-2)9(7)10;6-3-1-9-2-4(7)5(3)8;6-5-1-3-7-4-2-5;/h12-14H,8-11,17H2,1-7H3;9-10H,7-8H2,1-6H3,(H2,16,17);3-6H,1-2H2,(H2,10,11);1-2H,(H2,8,9);1-4H,(H2,6,7);1H/p-1.
What are the key properties of 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride?
3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride has a molecular weight of 1016.52 g/mol, XLogP of 9.01, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidin-4-amine;3,5-bis(2,2-dimethylpropyl)pyridin-4-amine;3,5-bis(ethenyl)pyridin-4-amine;3,5-dibromopyridin-4-amine;pyridin-4-amine;chloride is sourced from PubChem (CID 162111468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).