6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine

C24H34N4 — CID 58127366

IUPAC6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine
SMILESNC1CCC(Cc2cc(-c3cccc(NCC4CCCCC4)n3)ccn2)CC1
InChIInChI=1S/C24H34N4/c25-21-11-9-18(10-12-21)15-22-16-20(13-14-26-22)23-7-4-8-24(28-23)27-17-19-5-2-1-3-6-19/h4,7-8,13-14,16,18-19,21H,1-3,5-6,9-12,15,17,25H2,(H,27,28)
InChIKeyDKOLMPPOLHCOFP-UHFFFAOYSA-N
MW378.56 g/mol
LogP5.20
Rot. Bonds6

About 6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine

6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine (PubChem CID 58127366) has the molecular formula C24H34N4 and a molecular weight of 378.56 g/mol. Its IUPAC name is 6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine
PubChem CID58127366
Molecular FormulaC24H34N4
Molecular Weight378.56 g/mol
Exact Mass378.28
IUPAC Name6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine
SMILESNC1CCC(Cc2cc(-c3cccc(NCC4CCCCC4)n3)ccn2)CC1
InChIInChI=1S/C24H34N4/c25-21-11-9-18(10-12-21)15-22-16-20(13-14-26-22)23-7-4-8-24(28-23)27-17-19-5-2-1-3-6-19/h4,7-8,13-14,16,18-19,21H,1-3,5-6,9-12,15,17,25H2,(H,27,28)
InChIKeyDKOLMPPOLHCOFP-UHFFFAOYSA-N
XLogP5.20
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine?
The IUPAC name of 6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine (CID 58127366) is 6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine?
The canonical SMILES for 6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine is NC1CCC(Cc2cc(-c3cccc(NCC4CCCCC4)n3)ccn2)CC1.
What is the InChIKey of 6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine?
The InChIKey is DKOLMPPOLHCOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4/c25-21-11-9-18(10-12-21)15-22-16-20(13-14-26-22)23-7-4-8-24(28-23)27-17-19-5-2-1-3-6-19/h4,7-8,13-14,16,18-19,21H,1-3,5-6,9-12,15,17,25H2,(H,27,28).
What are the key properties of 6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine?
6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine has a molecular weight of 378.56 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine is sourced from PubChem (CID 58127366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).