5-phenylpentane-1,3-diamine

C11H18N2 — CID 68702978

IUPAC5-phenylpentane-1,3-diamine
SMILESNCCC(N)CCc1ccccc1
InChIInChI=1S/C11H18N2/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,12-13H2
InChIKeyUVVKLTSZOIVPHI-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.30
Rot. Bonds5

About 5-phenylpentane-1,3-diamine

5-phenylpentane-1,3-diamine (PubChem CID 68702978) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-phenylpentane-1,3-diamine.

Molecular Properties

Compound Name5-phenylpentane-1,3-diamine
PubChem CID68702978
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-phenylpentane-1,3-diamine
SMILESNCCC(N)CCc1ccccc1
InChIInChI=1S/C11H18N2/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,12-13H2
InChIKeyUVVKLTSZOIVPHI-UHFFFAOYSA-N
XLogP1.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenylhexane-1,4-diamine
CID 23163544
(2S,5R)-1,7-diphenylheptane-2,5-diamine
CID 126603451
(3R)-1-phenylhexan-3-amine
CID 66612996
1,4-diphenylbutan-2-amine
CID 60820174
7-phenylheptane-1,4-diamine
CID 174860311
2-amino-4-phenylbutan-1-ol
CID 159249603
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955
carbamic acid;4-phenylbutane-1,2-diamine
CID 70126726
1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine
CID 69151806
(2S)-4-phenylbutan-2-amine
CID 6994564
1-N-methyl-1-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine
CID 114929591
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645

Frequently Asked Questions

What is the IUPAC name of 5-phenylpentane-1,3-diamine?
The IUPAC name of 5-phenylpentane-1,3-diamine (CID 68702978) is 5-phenylpentane-1,3-diamine.
What is the SMILES notation for 5-phenylpentane-1,3-diamine?
The canonical SMILES for 5-phenylpentane-1,3-diamine is NCCC(N)CCc1ccccc1.
What is the InChIKey of 5-phenylpentane-1,3-diamine?
The InChIKey is UVVKLTSZOIVPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,12-13H2.
What are the key properties of 5-phenylpentane-1,3-diamine?
5-phenylpentane-1,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentane-1,3-diamine is sourced from PubChem (CID 68702978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).