5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine

C18H31N3 — CID 80637344

IUPAC5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine
SMILESCCC(N)Cc1cnc(N(C)C2CCCC(C)C2)c(C)c1
InChIInChI=1S/C18H31N3/c1-5-16(19)11-15-10-14(3)18(20-12-15)21(4)17-8-6-7-13(2)9-17/h10,12-13,16-17H,5-9,11,19H2,1-4H3
InChIKeyUGZCVAKCPMSKQU-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.68
Rot. Bonds5

About 5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine

5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine (PubChem CID 80637344) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine
PubChem CID80637344
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine
SMILESCCC(N)Cc1cnc(N(C)C2CCCC(C)C2)c(C)c1
InChIInChI=1S/C18H31N3/c1-5-16(19)11-15-10-14(3)18(20-12-15)21(4)17-8-6-7-13(2)9-17/h10,12-13,16-17H,5-9,11,19H2,1-4H3
InChIKeyUGZCVAKCPMSKQU-UHFFFAOYSA-N
XLogP3.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633578
4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 63815618
5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 107079358
5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 80627987
5-(2-aminoethyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633656
5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine
CID 80638929
5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
CID 80630732
5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine
CID 80633664
5-(2-aminopropyl)-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 80634729
3-chloro-5-(ethylaminomethyl)-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 62282878
1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 80634867
1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine
CID 80634790

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine (CID 80637344) is 5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine is CCC(N)Cc1cnc(N(C)C2CCCC(C)C2)c(C)c1.
What is the InChIKey of 5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine?
The InChIKey is UGZCVAKCPMSKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-16(19)11-15-10-14(3)18(20-12-15)21(4)17-8-6-7-13(2)9-17/h10,12-13,16-17H,5-9,11,19H2,1-4H3.
What are the key properties of 5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine?
5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 80637344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).