N-methyl-N-(4-phenylbutyl)pyridin-2-amine

C16H20N2 — CID 102464733

IUPACN-methyl-N-(4-phenylbutyl)pyridin-2-amine
SMILESCN(CCCCc1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2/c1-18(16-12-5-7-13-17-16)14-8-6-11-15-9-3-2-4-10-15/h2-5,7,9-10,12-13H,6,8,11,14H2,1H3
InChIKeyJQUVMZZSPHVHQS-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.54
Rot. Bonds6

About N-methyl-N-(4-phenylbutyl)pyridin-2-amine

N-methyl-N-(4-phenylbutyl)pyridin-2-amine (PubChem CID 102464733) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-methyl-N-(4-phenylbutyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(4-phenylbutyl)pyridin-2-amine
PubChem CID102464733
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-methyl-N-(4-phenylbutyl)pyridin-2-amine
SMILESCN(CCCCc1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2/c1-18(16-12-5-7-13-17-16)14-8-6-11-15-9-3-2-4-10-15/h2-5,7,9-10,12-13H,6,8,11,14H2,1H3
InChIKeyJQUVMZZSPHVHQS-UHFFFAOYSA-N
XLogP3.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine
CID 133292178
4-[methyl(pyridin-2-yl)amino]butanenitrile
CID 115231630
6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid
CID 70610869
N-methyl-N-propylpyridin-2-amine;hydrochloride
CID 69422308
2,3-dimethoxy-5-methyl-6-[10-[methyl(pyridin-2-yl)amino]decyl]cyclohexa-2,5-diene-1,4-dione
CID 66764673
3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 61373185
2-[1-(methylamino)ethenylsulfanyl]-3-[4-[3-[methyl(pyridin-2-yl)amino]propyl]phenyl]propanal
CID 153333964
N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 175013921
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenylbutyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-(4-phenylbutyl)pyridin-2-amine (CID 102464733) is N-methyl-N-(4-phenylbutyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-(4-phenylbutyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-(4-phenylbutyl)pyridin-2-amine is CN(CCCCc1ccccc1)c1ccccn1.
What is the InChIKey of N-methyl-N-(4-phenylbutyl)pyridin-2-amine?
The InChIKey is JQUVMZZSPHVHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-18(16-12-5-7-13-17-16)14-8-6-11-15-9-3-2-4-10-15/h2-5,7,9-10,12-13H,6,8,11,14H2,1H3.
What are the key properties of N-methyl-N-(4-phenylbutyl)pyridin-2-amine?
N-methyl-N-(4-phenylbutyl)pyridin-2-amine has a molecular weight of 240.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenylbutyl)pyridin-2-amine is sourced from PubChem (CID 102464733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).