4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine

C20H24N2 — CID 130161533

IUPAC4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C20H24N2/c21-20-12-11-19(13-20)16-22(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-12,19-20H,13-16,21H2
InChIKeyYBPQPPPGKPVWLI-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.59
Rot. Bonds6

About 4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine

4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine (PubChem CID 130161533) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine
PubChem CID130161533
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C20H24N2/c21-20-12-11-19(13-20)16-22(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-12,19-20H,13-16,21H2
InChIKeyYBPQPPPGKPVWLI-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(dibenzylamino)methyl]cyclohexan-1-amine
CID 18447128
cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile
CID 23584113
3-[[benzyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 66008001
N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine
CID 10938445
(3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol
CID 70981620
N,N-dibenzyl-1-(3,3-dimethyloxiran-2-yl)methanamine
CID 53342822
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934357
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine
CID 86616987
1-[3-(dibenzylamino)propyl]piperidin-4-amine
CID 18403417

Frequently Asked Questions

What is the IUPAC name of 4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine (CID 130161533) is 4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine is NC1C=CC(CN(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of 4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine?
The InChIKey is YBPQPPPGKPVWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c21-20-12-11-19(13-20)16-22(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-12,19-20H,13-16,21H2.
What are the key properties of 4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine?
4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine has a molecular weight of 292.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dibenzylamino)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 130161533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).