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

C16H27N3 — CID 81249376

IUPACN-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnccc1N(C)C1CCCCC1
InChIInChI=1S/C16H27N3/c1-3-10-17-12-14-13-18-11-9-16(14)19(2)15-7-5-4-6-8-15/h9,11,13,15,17H,3-8,10,12H2,1-2H3
InChIKeyOKBGOZPJYYCNIT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.35
Rot. Bonds6

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

N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine (PubChem CID 81249376) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
PubChem CID81249376
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnccc1N(C)C1CCCCC1
InChIInChI=1S/C16H27N3/c1-3-10-17-12-14-13-18-11-9-16(14)19(2)15-7-5-4-6-8-15/h9,11,13,15,17H,3-8,10,12H2,1-2H3
InChIKeyOKBGOZPJYYCNIT-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.35
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-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81249487
N-cycloheptyl-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81247152
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine
CID 81249277
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073619
N-cyclopentyl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072971
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525
N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine
CID 81246240
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine (CID 81249376) is N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine is CCCNCc1cnccc1N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine?
The InChIKey is OKBGOZPJYYCNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-10-17-12-14-13-18-11-9-16(14)19(2)15-7-5-4-6-8-15/h9,11,13,15,17H,3-8,10,12H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine?
N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81249376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).