1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine

C19H26N2 — CID 81395700

IUPAC1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
SMILESCCCCCC(N[C@@H](C)c1ccncc1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-3-4-6-11-19(18-9-7-5-8-10-18)21-16(2)17-12-14-20-15-13-17/h5,7-10,12-16,19,21H,3-4,6,11H2,1-2H3/t16-,19?/m0/s1
InChIKeyBDBOMNIQNMPZKG-UCFFOFKASA-N
MW282.43 g/mol
LogP5.05
Rot. Bonds8

About 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine

1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine (PubChem CID 81395700) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
PubChem CID81395700
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
SMILESCCCCCC(N[C@@H](C)c1ccncc1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-3-4-6-11-19(18-9-7-5-8-10-18)21-16(2)17-12-14-20-15-13-17/h5,7-10,12-16,19,21H,3-4,6,11H2,1-2H3/t16-,19?/m0/s1
InChIKeyBDBOMNIQNMPZKG-UCFFOFKASA-N
XLogP5.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.05
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

1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
3-methyl-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81405533
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine
CID 81403415
N-(1-phenylpentyl)octan-2-amine
CID 43791089
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine
CID 81406053
N-methyl-1-pyridin-4-yldecan-1-amine
CID 62600532
1-pyridin-4-ylheptylhydrazine
CID 105196555
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
3-[1-(1-phenylpentylamino)ethyl]phenol
CID 43791599
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine
CID 81361767

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine?
The IUPAC name of 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine (CID 81395700) is 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine?
The canonical SMILES for 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine is CCCCCC(N[C@@H](C)c1ccncc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine?
The InChIKey is BDBOMNIQNMPZKG-UCFFOFKASA-N. The full InChI is InChI=1S/C19H26N2/c1-3-4-6-11-19(18-9-7-5-8-10-18)21-16(2)17-12-14-20-15-13-17/h5,7-10,12-16,19,21H,3-4,6,11H2,1-2H3/t16-,19?/m0/s1.
What are the key properties of 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine?
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine is sourced from PubChem (CID 81395700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).