1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide

C14H24N2O — CID 113309488

IUPAC1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCC2CC=CCC2)CCCC1
InChIInChI=1S/C14H24N2O/c15-11-14(8-4-5-9-14)13(17)16-10-12-6-2-1-3-7-12/h1-2,12H,3-11,15H2,(H,16,17)
InChIKeyPCYXAFVPASCCRG-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.98
Rot. Bonds4

About 1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 113309488) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide
PubChem CID113309488
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCC2CC=CCC2)CCCC1
InChIInChI=1S/C14H24N2O/c15-11-14(8-4-5-9-14)13(17)16-10-12-6-2-1-3-7-12/h1-2,12H,3-11,15H2,(H,16,17)
InChIKeyPCYXAFVPASCCRG-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.98
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-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767
1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide
CID 106135703
1-(aminomethyl)-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107412357
1-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 103809820
1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107296158
4-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104963862
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119795410
1-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119854626
2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851850
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 115448612
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 115738374

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide (CID 113309488) is 1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide is NCC1(C(=O)NCC2CC=CCC2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is PCYXAFVPASCCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-11-14(8-4-5-9-14)13(17)16-10-12-6-2-1-3-7-12/h1-2,12H,3-11,15H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 113309488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).