N-pent-3-ynylcyclohexanecarboxamide

C12H19NO — CID 115977262

IUPACN-pent-3-ynylcyclohexanecarboxamide
SMILESCC#CCCNC(=O)C1CCCCC1
InChIInChI=1S/C12H19NO/c1-2-3-7-10-13-12(14)11-8-5-4-6-9-11/h11H,4-10H2,1H3,(H,13,14)
InChIKeyFCZOAABECXCCEP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.10
Rot. Bonds3

About N-pent-3-ynylcyclohexanecarboxamide

N-pent-3-ynylcyclohexanecarboxamide (PubChem CID 115977262) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-pent-3-ynylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-pent-3-ynylcyclohexanecarboxamide
PubChem CID115977262
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-pent-3-ynylcyclohexanecarboxamide
SMILESCC#CCCNC(=O)C1CCCCC1
InChIInChI=1S/C12H19NO/c1-2-3-7-10-13-12(14)11-8-5-4-6-9-11/h11H,4-10H2,1H3,(H,13,14)
InChIKeyFCZOAABECXCCEP-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-N-pent-3-ynylcyclohexane-1-carboxamide
CID 104581214
N-pent-3-ynylpiperidine-3-carboxamide
CID 116644116
(3S)-N-pent-3-ynylpiperidine-3-carboxamide
CID 104891658
N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644143
N-propylcyclooctanecarboxamide
CID 65022755
(2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945764
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-(3-cyanopropyl)cyclohexanecarboxamide
CID 62666827
N-prop-2-ynylcyclooctanecarboxamide
CID 65020760
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynylcyclohexanecarboxamide?
The IUPAC name of N-pent-3-ynylcyclohexanecarboxamide (CID 115977262) is N-pent-3-ynylcyclohexanecarboxamide.
What is the SMILES notation for N-pent-3-ynylcyclohexanecarboxamide?
The canonical SMILES for N-pent-3-ynylcyclohexanecarboxamide is CC#CCCNC(=O)C1CCCCC1.
What is the InChIKey of N-pent-3-ynylcyclohexanecarboxamide?
The InChIKey is FCZOAABECXCCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-7-10-13-12(14)11-8-5-4-6-9-11/h11H,4-10H2,1H3,(H,13,14).
What are the key properties of N-pent-3-ynylcyclohexanecarboxamide?
N-pent-3-ynylcyclohexanecarboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-ynylcyclohexanecarboxamide is sourced from PubChem (CID 115977262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).