N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine

C18H31N3 — CID 105073619

IUPACN-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine
SMILESCCCNCc1ccncc1N(C)C1CCC(CC)CC1
InChIInChI=1S/C18H31N3/c1-4-11-19-13-16-10-12-20-14-18(16)21(3)17-8-6-15(5-2)7-9-17/h10,12,14-15,17,19H,4-9,11,13H2,1-3H3
InChIKeyBIRPVWJWYGBWOZ-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.99
Rot. Bonds7

About N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine

N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine (PubChem CID 105073619) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine
PubChem CID105073619
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine
SMILESCCCNCc1ccncc1N(C)C1CCC(CC)CC1
InChIInChI=1S/C18H31N3/c1-4-11-19-13-16-10-12-20-14-18(16)21(3)17-8-6-15(5-2)7-9-17/h10,12,14-15,17,19H,4-9,11,13H2,1-3H3
InChIKeyBIRPVWJWYGBWOZ-UHFFFAOYSA-N
XLogP3.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.99
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

N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525
N-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077
N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249376
4-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyridin-3-amine
CID 105073064
N-cyclopentyl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072971
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylpyridin-3-amine
CID 105072864
N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073614
N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63553409
[3-[cyclopropyl(methyl)amino]-4-pyridinyl]methanol
CID 105066695
N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072908
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine (CID 105073619) is N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine is CCCNCc1ccncc1N(C)C1CCC(CC)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine?
The InChIKey is BIRPVWJWYGBWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-11-19-13-16-10-12-20-14-18(16)21(3)17-8-6-15(5-2)7-9-17/h10,12,14-15,17,19H,4-9,11,13H2,1-3H3.
What are the key properties of N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine?
N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine is sourced from PubChem (CID 105073619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).