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

C12H18N2 — CID 62568312

IUPAC2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine
SMILESCC(CNc1ccccc1)NC1CC1
InChIInChI=1S/C12H18N2/c1-10(14-12-7-8-12)9-13-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3
InChIKeyZQPQWLUZHVOHNN-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.24
Rot. Bonds5

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

2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine (PubChem CID 62568312) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine
PubChem CID62568312
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine
SMILESCC(CNc1ccccc1)NC1CC1
InChIInChI=1S/C12H18N2/c1-10(14-12-7-8-12)9-13-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3
InChIKeyZQPQWLUZHVOHNN-UHFFFAOYSA-N
XLogP2.24
TPSA24.06 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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-bromopropyl)aniline
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N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
CID 115903384
3-(cyclopentylamino)-N-phenylbutanamide
CID 113218911
N-(1-methylsulfanylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115721718
N-(2-cycloheptyloxypropyl)aniline
CID 55093129
N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115889867
N-(2-methylsulfanylpropyl)aniline
CID 62582287
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine
CID 62570682
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine (CID 62568312) is 2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine is CC(CNc1ccccc1)NC1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine?
The InChIKey is ZQPQWLUZHVOHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(14-12-7-8-12)9-13-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3.
What are the key properties of 2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine?
2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 62568312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).