N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine

C19H26N2 — CID 115900456

IUPACN-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine
SMILESCCCCCC(NCc1cnccc1C)c1ccccc1
InChIInChI=1S/C19H26N2/c1-3-4-6-11-19(17-9-7-5-8-10-17)21-15-18-14-20-13-12-16(18)2/h5,7-10,12-14,19,21H,3-4,6,11,15H2,1-2H3
InChIKeyCMYQLAHGNSGAMI-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.80
Rot. Bonds8

About N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine

N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine (PubChem CID 115900456) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine
PubChem CID115900456
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine
SMILESCCCCCC(NCc1cnccc1C)c1ccccc1
InChIInChI=1S/C19H26N2/c1-3-4-6-11-19(17-9-7-5-8-10-17)21-15-18-14-20-13-12-16(18)2/h5,7-10,12-14,19,21H,3-4,6,11,15H2,1-2H3
InChIKeyCMYQLAHGNSGAMI-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 115900299
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpentan-1-amine
CID 63305743
4-chloro-N-(1-phenylhexyl)pyridin-3-amine
CID 83166461
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
CID 81395700
N-pentyl-1-phenyldecan-1-amine
CID 10380274
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine
CID 114698805
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine
CID 63280424
4-[(1-phenylhexylamino)methyl]phenol
CID 115715711
1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
CID 17155648
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
1-(4-methyl-3-pyridinyl)nonylhydrazine
CID 105279792
N-(1-phenylpentyl)heptan-1-amine
CID 10084030

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine (CID 115900456) is N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine is CCCCCC(NCc1cnccc1C)c1ccccc1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine?
The InChIKey is CMYQLAHGNSGAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-4-6-11-19(17-9-7-5-8-10-17)21-15-18-14-20-13-12-16(18)2/h5,7-10,12-14,19,21H,3-4,6,11,15H2,1-2H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine?
N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine is sourced from PubChem (CID 115900456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).