N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine

C23H26N2 — CID 70948630

IUPACN-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine
SMILESCCCCC(NCc1ccccc1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C23H26N2/c1-2-3-15-22(24-18-19-11-6-4-7-12-19)23-17-10-16-21(25-23)20-13-8-5-9-14-20/h4-14,16-17,22,24H,2-3,15,18H2,1H3
InChIKeyQVOAHBYGCIACCO-UHFFFAOYSA-N
MW330.48 g/mol
LogP5.77
Rot. Bonds8

About N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine

N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine (PubChem CID 70948630) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine
PubChem CID70948630
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC NameN-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine
SMILESCCCCC(NCc1ccccc1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C23H26N2/c1-2-3-15-22(24-18-19-11-6-4-7-12-19)23-17-10-16-21(25-23)20-13-8-5-9-14-20/h4-14,16-17,22,24H,2-3,15,18H2,1H3
InChIKeyQVOAHBYGCIACCO-UHFFFAOYSA-N
XLogP5.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine?
The IUPAC name of N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine (CID 70948630) is N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine.
What is the SMILES notation for N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine?
The canonical SMILES for N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine is CCCCC(NCc1ccccc1)c1cccc(-c2ccccc2)n1.
What is the InChIKey of N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine?
The InChIKey is QVOAHBYGCIACCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-2-3-15-22(24-18-19-11-6-4-7-12-19)23-17-10-16-21(25-23)20-13-8-5-9-14-20/h4-14,16-17,22,24H,2-3,15,18H2,1H3.
What are the key properties of N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine?
N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine has a molecular weight of 330.48 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(6-phenyl-2-pyridinyl)pentan-1-amine is sourced from PubChem (CID 70948630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).