5-methyl-N-(1-phenylbutyl)pyridin-3-amine

C16H20N2 — CID 113354141

IUPAC5-methyl-N-(1-phenylbutyl)pyridin-3-amine
SMILESCCCC(Nc1cncc(C)c1)c1ccccc1
InChIInChI=1S/C16H20N2/c1-3-7-16(14-8-5-4-6-9-14)18-15-10-13(2)11-17-12-15/h4-6,8-12,16,18H,3,7H2,1-2H3
InChIKeyJDIBLLXGUUVSMP-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.34
Rot. Bonds5

About 5-methyl-N-(1-phenylbutyl)pyridin-3-amine

5-methyl-N-(1-phenylbutyl)pyridin-3-amine (PubChem CID 113354141) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-methyl-N-(1-phenylbutyl)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-N-(1-phenylbutyl)pyridin-3-amine
PubChem CID113354141
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name5-methyl-N-(1-phenylbutyl)pyridin-3-amine
SMILESCCCC(Nc1cncc(C)c1)c1ccccc1
InChIInChI=1S/C16H20N2/c1-3-7-16(14-8-5-4-6-9-14)18-15-10-13(2)11-17-12-15/h4-6,8-12,16,18H,3,7H2,1-2H3
InChIKeyJDIBLLXGUUVSMP-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-N-(1-phenylbutyl)aniline
CID 63463611
2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol
CID 11163875
3,5-difluoro-N-(1-phenylbutyl)aniline
CID 43095450
5-N-(1-phenylpropyl)pyridine-3,5-diamine
CID 104534194
2,5-dimethyl-N-(1-phenylbutyl)aniline
CID 43110358
1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine
CID 43543366
2-N,2-N-dimethyl-5-N-(1-phenylbutyl)pyridine-2,5-diamine
CID 43690418
N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine
CID 107587805
5-methyl-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 115922253
5-methyl-N-octan-2-ylpyridin-3-amine
CID 107584780
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-phenylbutyl)pyridin-3-amine?
The IUPAC name of 5-methyl-N-(1-phenylbutyl)pyridin-3-amine (CID 113354141) is 5-methyl-N-(1-phenylbutyl)pyridin-3-amine.
What is the SMILES notation for 5-methyl-N-(1-phenylbutyl)pyridin-3-amine?
The canonical SMILES for 5-methyl-N-(1-phenylbutyl)pyridin-3-amine is CCCC(Nc1cncc(C)c1)c1ccccc1.
What is the InChIKey of 5-methyl-N-(1-phenylbutyl)pyridin-3-amine?
The InChIKey is JDIBLLXGUUVSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-7-16(14-8-5-4-6-9-14)18-15-10-13(2)11-17-12-15/h4-6,8-12,16,18H,3,7H2,1-2H3.
What are the key properties of 5-methyl-N-(1-phenylbutyl)pyridin-3-amine?
5-methyl-N-(1-phenylbutyl)pyridin-3-amine has a molecular weight of 240.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-phenylbutyl)pyridin-3-amine is sourced from PubChem (CID 113354141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).