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

C18H28N2 — CID 106173509

IUPAC2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine
SMILESCC(CN)(CCc1ccccc1)NCCC1=CCCC1
InChIInChI=1S/C18H28N2/c1-18(15-19,13-11-16-7-3-2-4-8-16)20-14-12-17-9-5-6-10-17/h2-4,7-9,20H,5-6,10-15,19H2,1H3
InChIKeyOEJSDJWGMYMENS-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.43
Rot. Bonds8

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

2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine (PubChem CID 106173509) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine
PubChem CID106173509
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine
SMILESCC(CN)(CCc1ccccc1)NCCC1=CCCC1
InChIInChI=1S/C18H28N2/c1-18(15-19,13-11-16-7-3-2-4-8-16)20-14-12-17-9-5-6-10-17/h2-4,7-9,20H,5-6,10-15,19H2,1H3
InChIKeyOEJSDJWGMYMENS-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.43
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

2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 106173187
2-(cyclopenten-1-yl)ethylbenzene
CID 57211956
N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
CID 114153908
2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine
CID 102912698
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106177113
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
CID 103843122
4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
CID 106166027
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid
CID 106178566

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine (CID 106173509) is 2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine is CC(CN)(CCc1ccccc1)NCCC1=CCCC1.
What is the InChIKey of 2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine?
The InChIKey is OEJSDJWGMYMENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(15-19,13-11-16-7-3-2-4-8-16)20-14-12-17-9-5-6-10-17/h2-4,7-9,20H,5-6,10-15,19H2,1H3.
What are the key properties of 2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine?
2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine has a molecular weight of 272.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 106173509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).