1,5-diphenylpentan-3-amine

C17H21N — CID 15388874

IUPAC1,5-diphenylpentan-3-amine
SMILESNC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H21N/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17H,11-14,18H2
InChIKeyPBKWJPMGHCRYGT-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.58
Rot. Bonds6

About 1,5-diphenylpentan-3-amine

1,5-diphenylpentan-3-amine (PubChem CID 15388874) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1,5-diphenylpentan-3-amine.

Molecular Properties

Compound Name1,5-diphenylpentan-3-amine
PubChem CID15388874
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1,5-diphenylpentan-3-amine
SMILESNC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H21N/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17H,11-14,18H2
InChIKeyPBKWJPMGHCRYGT-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenylpentan-3-amine?
The IUPAC name of 1,5-diphenylpentan-3-amine (CID 15388874) is 1,5-diphenylpentan-3-amine.
What is the SMILES notation for 1,5-diphenylpentan-3-amine?
The canonical SMILES for 1,5-diphenylpentan-3-amine is NC(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of 1,5-diphenylpentan-3-amine?
The InChIKey is PBKWJPMGHCRYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17H,11-14,18H2.
What are the key properties of 1,5-diphenylpentan-3-amine?
1,5-diphenylpentan-3-amine has a molecular weight of 239.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylpentan-3-amine is sourced from PubChem (CID 15388874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).