2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine

C15H21N — CID 115762870

IUPAC2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNCCC2=CCCC2)c1
InChIInChI=1S/C15H21N/c1-13-5-4-8-15(11-13)12-16-10-9-14-6-2-3-7-14/h4-6,8,11,16H,2-3,7,9-10,12H2,1H3
InChIKeyZWLTYGHLXHCLCY-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.59
Rot. Bonds5

About 2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine

2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 115762870) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID115762870
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNCCC2=CCCC2)c1
InChIInChI=1S/C15H21N/c1-13-5-4-8-15(11-13)12-16-10-9-14-6-2-3-7-14/h4-6,8,11,16H,2-3,7,9-10,12H2,1H3
InChIKeyZWLTYGHLXHCLCY-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-[(3-methylphenyl)methyl]ethanamine chloride
CID 19627969
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
2-(cyclopenten-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 103845245
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108993808
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 106169984
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108959301
2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 106168823
2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17210383
2-(cyclohexen-1-yl)-N-[(3-prop-2-ynoxyphenyl)methyl]ethanamine
CID 94074436
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112885542

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine (CID 115762870) is 2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine is Cc1cccc(CNCCC2=CCCC2)c1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is ZWLTYGHLXHCLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-13-5-4-8-15(11-13)12-16-10-9-14-6-2-3-7-14/h4-6,8,11,16H,2-3,7,9-10,12H2,1H3.
What are the key properties of 2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine?
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine has a molecular weight of 215.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115762870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).