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

C16H24N2 — CID 106173196

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NCCC2=CCCC2)cc1
InChIInChI=1S/C16H24N2/c1-13-6-8-15(9-7-13)16(12-17)18-11-10-14-4-2-3-5-14/h4,6-9,16,18H,2-3,5,10-12,17H2,1H3
InChIKeyVGZQZUUOLDFAKU-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.08
Rot. Bonds6

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

N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 106173196) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID106173196
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NCCC2=CCCC2)cc1
InChIInChI=1S/C16H24N2/c1-13-6-8-15(9-7-13)16(12-17)18-11-10-14-4-2-3-5-14/h4,6-9,16,18H,2-3,5,10-12,17H2,1H3
InChIKeyVGZQZUUOLDFAKU-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-[2-(cyclopenten-1-yl)ethyl]ethane-1,2-diamine
CID 106173322
N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173203
N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 106173235
N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
CID 103843122
2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43766353
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173418
N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine
CID 106173166
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine
CID 43766361
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one
CID 82100138
N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 106169372
N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106169289
1-(1,3-benzodioxol-5-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 103904485

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine (CID 106173196) is N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(C(CN)NCCC2=CCCC2)cc1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is VGZQZUUOLDFAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-6-8-15(9-7-13)16(12-17)18-11-10-14-4-2-3-5-14/h4,6-9,16,18H,2-3,5,10-12,17H2,1H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine?
N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 106173196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).