2-N-cyclopropyl-4-phenylpentane-1,2-diamine

C14H22N2 — CID 62070521

IUPAC2-N-cyclopropyl-4-phenylpentane-1,2-diamine
SMILESCC(CC(CN)NC1CC1)c1ccccc1
InChIInChI=1S/C14H22N2/c1-11(12-5-3-2-4-6-12)9-14(10-15)16-13-7-8-13/h2-6,11,13-14,16H,7-10,15H2,1H3
InChIKeyOCZRKVZQLXOKLI-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.26
Rot. Bonds6

About 2-N-cyclopropyl-4-phenylpentane-1,2-diamine

2-N-cyclopropyl-4-phenylpentane-1,2-diamine (PubChem CID 62070521) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-phenylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-phenylpentane-1,2-diamine
PubChem CID62070521
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-N-cyclopropyl-4-phenylpentane-1,2-diamine
SMILESCC(CC(CN)NC1CC1)c1ccccc1
InChIInChI=1S/C14H22N2/c1-11(12-5-3-2-4-6-12)9-14(10-15)16-13-7-8-13/h2-6,11,13-14,16H,7-10,15H2,1H3
InChIKeyOCZRKVZQLXOKLI-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine
CID 115406341
2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine
CID 113464327
2-N-cyclopropyl-3-phenylpropane-1,2-diamine
CID 62070151
4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine
CID 62313676
2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine
CID 83010931
2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine
CID 65385753
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine
CID 55030697
2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine
CID 65382943
4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 65381961
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenylpentan-1-amine
CID 66393806

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-phenylpentane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-4-phenylpentane-1,2-diamine (CID 62070521) is 2-N-cyclopropyl-4-phenylpentane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-phenylpentane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-phenylpentane-1,2-diamine is CC(CC(CN)NC1CC1)c1ccccc1.
What is the InChIKey of 2-N-cyclopropyl-4-phenylpentane-1,2-diamine?
The InChIKey is OCZRKVZQLXOKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(12-5-3-2-4-6-12)9-14(10-15)16-13-7-8-13/h2-6,11,13-14,16H,7-10,15H2,1H3.
What are the key properties of 2-N-cyclopropyl-4-phenylpentane-1,2-diamine?
2-N-cyclopropyl-4-phenylpentane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-phenylpentane-1,2-diamine is sourced from PubChem (CID 62070521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).