N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine

C18H31N3 — CID 81253096

IUPACN,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnc(C)cc1N(C)C1CCC(C)CC1
InChIInChI=1S/C18H31N3/c1-5-10-19-12-16-13-20-15(3)11-18(16)21(4)17-8-6-14(2)7-9-17/h11,13-14,17,19H,5-10,12H2,1-4H3
InChIKeyURXGDUDWGVDYMS-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.90
Rot. Bonds6

About N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine

N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine (PubChem CID 81253096) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine
PubChem CID81253096
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnc(C)cc1N(C)C1CCC(C)CC1
InChIInChI=1S/C18H31N3/c1-5-10-19-12-16-13-20-15(3)11-18(16)21(4)17-8-6-14(2)7-9-17/h11,13-14,17,19H,5-10,12H2,1-4H3
InChIKeyURXGDUDWGVDYMS-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine
CID 81234834
N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine
CID 81248139
N,2-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-4-amine
CID 81248842
N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine
CID 81246363
2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine
CID 81249761
N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine
CID 81254307
N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81247735
2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine
CID 81249966
5-(ethylaminomethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)pyridin-4-amine
CID 82754776
5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114849223
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 114035229

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine (CID 81253096) is N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine is CCCNCc1cnc(C)cc1N(C)C1CCC(C)CC1.
What is the InChIKey of N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine?
The InChIKey is URXGDUDWGVDYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-10-19-12-16-13-20-15(3)11-18(16)21(4)17-8-6-14(2)7-9-17/h11,13-14,17,19H,5-10,12H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine?
N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81253096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).