2-N-cyclopropyl-3-phenylpropane-1,2-diamine

C12H18N2 — CID 62070151

IUPAC2-N-cyclopropyl-3-phenylpropane-1,2-diamine
SMILESNCC(Cc1ccccc1)NC1CC1
InChIInChI=1S/C12H18N2/c13-9-12(14-11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9,13H2
InChIKeyBIYJAWZVLLUXBZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.31
Rot. Bonds5

About 2-N-cyclopropyl-3-phenylpropane-1,2-diamine

2-N-cyclopropyl-3-phenylpropane-1,2-diamine (PubChem CID 62070151) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-N-cyclopropyl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-3-phenylpropane-1,2-diamine
PubChem CID62070151
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-N-cyclopropyl-3-phenylpropane-1,2-diamine
SMILESNCC(Cc1ccccc1)NC1CC1
InChIInChI=1S/C12H18N2/c13-9-12(14-11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9,13H2
InChIKeyBIYJAWZVLLUXBZ-UHFFFAOYSA-N
XLogP1.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-4-phenylpentane-1,2-diamine
CID 62070521
2-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556
N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79008757
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
N-(1,3-diphenylpropan-2-yl)oxolan-3-amine
CID 80719225
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
(2S)-2-[(1-oxothian-4-yl)amino]-3-phenylpropan-1-ol
CID 107862384
2-(cyclopropylamino)-3-phenylpropanenitrile
CID 43151723
4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
CID 102613855
(3S)-1-N-cyclopropyl-4-phenylbutane-1,3-diamine
CID 129054273

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-3-phenylpropane-1,2-diamine (CID 62070151) is 2-N-cyclopropyl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-3-phenylpropane-1,2-diamine is NCC(Cc1ccccc1)NC1CC1.
What is the InChIKey of 2-N-cyclopropyl-3-phenylpropane-1,2-diamine?
The InChIKey is BIYJAWZVLLUXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-9-12(14-11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9,13H2.
What are the key properties of 2-N-cyclopropyl-3-phenylpropane-1,2-diamine?
2-N-cyclopropyl-3-phenylpropane-1,2-diamine has a molecular weight of 190.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 62070151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).