4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine

C13H18N2 — CID 106166027

IUPAC4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
SMILESNc1ccc(NCCC2=CCCC2)cc1
InChIInChI=1S/C13H18N2/c14-12-5-7-13(8-6-12)15-10-9-11-3-1-2-4-11/h3,5-8,15H,1-2,4,9-10,14H2
InChIKeyRKVNRWPTHBRXGG-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.18
Rot. Bonds4

About 4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine

4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine (PubChem CID 106166027) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
PubChem CID106166027
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
SMILESNc1ccc(NCCC2=CCCC2)cc1
InChIInChI=1S/C13H18N2/c14-12-5-7-13(8-6-12)15-10-9-11-3-1-2-4-11/h3,5-8,15H,1-2,4,9-10,14H2
InChIKeyRKVNRWPTHBRXGG-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline
CID 103844182
2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile
CID 114152749
4-N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 107846020
4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 106166400
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 61147188
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine
CID 103844205
2-N-[2-(cyclohexen-1-yl)ethyl]-3,4-difluorobenzene-1,2-diamine
CID 114008342
4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine
CID 106166084
3-[2-(cyclopenten-1-yl)ethylamino]cyclopent-2-en-1-one
CID 106177622
3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid
CID 106178566
1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 106166262
N-[2-(cyclohexen-1-yl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055043

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine (CID 106166027) is 4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine is Nc1ccc(NCCC2=CCCC2)cc1.
What is the InChIKey of 4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine?
The InChIKey is RKVNRWPTHBRXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-12-5-7-13(8-6-12)15-10-9-11-3-1-2-4-11/h3,5-8,15H,1-2,4,9-10,14H2.
What are the key properties of 4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine?
4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine has a molecular weight of 202.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 106166027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).