2-phenylpentane-1,3-diamine

C11H18N2 — CID 57298875

IUPAC2-phenylpentane-1,3-diamine
SMILESCCC(N)C(CN)c1ccccc1
InChIInChI=1S/C11H18N2/c1-2-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10-11H,2,8,12-13H2,1H3
InChIKeyMDJWWYZVFCHJIF-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.47
Rot. Bonds4

About 2-phenylpentane-1,3-diamine

2-phenylpentane-1,3-diamine (PubChem CID 57298875) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-phenylpentane-1,3-diamine.

Molecular Properties

Compound Name2-phenylpentane-1,3-diamine
PubChem CID57298875
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-phenylpentane-1,3-diamine
SMILESCCC(N)C(CN)c1ccccc1
InChIInChI=1S/C11H18N2/c1-2-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10-11H,2,8,12-13H2,1H3
InChIKeyMDJWWYZVFCHJIF-UHFFFAOYSA-N
XLogP1.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2-phenylpentan-3-amine
CID 103466357
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
1-amino-4-ethyl-2-phenylhexan-3-ol
CID 65186056
2,3,3-triphenylpropan-1-amine
CID 11781172
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
5-phenylhept-1-en-4-amine
CID 115814558
3-methyl-5-phenylheptan-4-amine
CID 105017445
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
3-hexadecyl-2-phenylnonadecan-1-amine
CID 175285044
3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine
CID 82140241
(2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine
CID 70830206

Frequently Asked Questions

What is the IUPAC name of 2-phenylpentane-1,3-diamine?
The IUPAC name of 2-phenylpentane-1,3-diamine (CID 57298875) is 2-phenylpentane-1,3-diamine.
What is the SMILES notation for 2-phenylpentane-1,3-diamine?
The canonical SMILES for 2-phenylpentane-1,3-diamine is CCC(N)C(CN)c1ccccc1.
What is the InChIKey of 2-phenylpentane-1,3-diamine?
The InChIKey is MDJWWYZVFCHJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10-11H,2,8,12-13H2,1H3.
What are the key properties of 2-phenylpentane-1,3-diamine?
2-phenylpentane-1,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpentane-1,3-diamine is sourced from PubChem (CID 57298875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).