1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine

C20H28ClN3 — CID 57132350

IUPAC1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine
SMILESCC(N)CCCCNCCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C20H28ClN3/c1-16(22)6-2-4-13-23-15-12-19(20-7-3-5-14-24-20)17-8-10-18(21)11-9-17/h3,5,7-11,14,16,19,23H,2,4,6,12-13,15,22H2,1H3
InChIKeyHCXJUAPJDPWBHS-UHFFFAOYSA-N
MW345.92 g/mol
LogP4.36
Rot. Bonds10

About 1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine

1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine (PubChem CID 57132350) has the molecular formula C20H28ClN3 and a molecular weight of 345.92 g/mol. Its IUPAC name is 1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine.

Molecular Properties

Compound Name1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine
PubChem CID57132350
Molecular FormulaC20H28ClN3
Molecular Weight345.92 g/mol
Exact Mass345.20
IUPAC Name1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine
SMILESCC(N)CCCCNCCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C20H28ClN3/c1-16(22)6-2-4-13-23-15-12-19(20-7-3-5-14-24-20)17-8-10-18(21)11-9-17/h3,5,7-11,14,16,19,23H,2,4,6,12-13,15,22H2,1H3
InChIKeyHCXJUAPJDPWBHS-UHFFFAOYSA-N
XLogP4.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine
CID 57086603
4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine
CID 90681228
4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine
CID 118180240
(3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine
CID 131708765
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
1-(4-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]propan-1-amine
CID 81401492
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 79040070
[2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid
CID 155128689
1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81406911
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
6-phenyl-6-pyridin-2-ylhexanenitrile
CID 138977587
3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine
CID 171379399

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine?
The IUPAC name of 1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine (CID 57132350) is 1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine.
What is the SMILES notation for 1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine?
The canonical SMILES for 1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine is CC(N)CCCCNCCC(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine?
The InChIKey is HCXJUAPJDPWBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3/c1-16(22)6-2-4-13-23-15-12-19(20-7-3-5-14-24-20)17-8-10-18(21)11-9-17/h3,5,7-11,14,16,19,23H,2,4,6,12-13,15,22H2,1H3.
What are the key properties of 1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine?
1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine has a molecular weight of 345.92 g/mol, XLogP of 4.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine is sourced from PubChem (CID 57132350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).