1-N-(4-ethylphenyl)cyclopentane-1,2-diamine

C13H20N2 — CID 102571486

IUPAC1-N-(4-ethylphenyl)cyclopentane-1,2-diamine
SMILESCCc1ccc(NC2CCCC2N)cc1
InChIInChI=1S/C13H20N2/c1-2-10-6-8-11(9-7-10)15-13-5-3-4-12(13)14/h6-9,12-13,15H,2-5,14H2,1H3
InChIKeyMBVRPHZLWBZIRL-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.54
Rot. Bonds3

About 1-N-(4-ethylphenyl)cyclopentane-1,2-diamine

1-N-(4-ethylphenyl)cyclopentane-1,2-diamine (PubChem CID 102571486) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-N-(4-ethylphenyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-ethylphenyl)cyclopentane-1,2-diamine
PubChem CID102571486
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-N-(4-ethylphenyl)cyclopentane-1,2-diamine
SMILESCCc1ccc(NC2CCCC2N)cc1
InChIInChI=1S/C13H20N2/c1-2-10-6-8-11(9-7-10)15-13-5-3-4-12(13)14/h6-9,12-13,15H,2-5,14H2,1H3
InChIKeyMBVRPHZLWBZIRL-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117122
2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
CID 102571444
1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine
CID 115117098
N-(4-ethylphenyl)cyclododecanamine
CID 63422898
2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
CID 115117777
2-(4-ethylphenyl)cyclopentan-1-amine
CID 62605664
2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 61038015
trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 93453630
1-N-(3,4-difluorophenyl)cyclopentane-1,2-diamine
CID 102571502
1-N-pyridin-4-ylcycloheptane-1,2-diamine
CID 63258544
trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733092
trans-(1S,2S)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733091

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethylphenyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-(4-ethylphenyl)cyclopentane-1,2-diamine (CID 102571486) is 1-N-(4-ethylphenyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(4-ethylphenyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(4-ethylphenyl)cyclopentane-1,2-diamine is CCc1ccc(NC2CCCC2N)cc1.
What is the InChIKey of 1-N-(4-ethylphenyl)cyclopentane-1,2-diamine?
The InChIKey is MBVRPHZLWBZIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-10-6-8-11(9-7-10)15-13-5-3-4-12(13)14/h6-9,12-13,15H,2-5,14H2,1H3.
What are the key properties of 1-N-(4-ethylphenyl)cyclopentane-1,2-diamine?
1-N-(4-ethylphenyl)cyclopentane-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethylphenyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 102571486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).