4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide

C16H22N2O — CID 103845360

IUPAC4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCCC2=CCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-17-16(19)15-8-6-14(7-9-15)12-18-11-10-13-4-2-3-5-13/h4,6-9,18H,2-3,5,10-12H2,1H3,(H,17,19)
InChIKeyZNOCSBFRDSCIDB-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.64
Rot. Bonds6

About 4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide

4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide (PubChem CID 103845360) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide
PubChem CID103845360
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCCC2=CCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-17-16(19)15-8-6-14(7-9-15)12-18-11-10-13-4-2-3-5-13/h4,6-9,18H,2-3,5,10-12H2,1H3,(H,17,19)
InChIKeyZNOCSBFRDSCIDB-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 28620853
2-(cyclopenten-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 103845268
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
2-[2-(cyclopenten-1-yl)ethylamino]-N-methylacetamide
CID 106173871
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline
CID 17210231
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
2-(cyclohexen-1-yl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
CID 17206798

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide (CID 103845360) is 4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNCCC2=CCCC2)cc1.
What is the InChIKey of 4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide?
The InChIKey is ZNOCSBFRDSCIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-16(19)15-8-6-14(7-9-15)12-18-11-10-13-4-2-3-5-13/h4,6-9,18H,2-3,5,10-12H2,1H3,(H,17,19).
What are the key properties of 4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide?
4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide has a molecular weight of 258.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 103845360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).