4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide

C14H24N2O — CID 106230552

IUPAC4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide
SMILESC#CC(CCC)NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H24N2O/c1-3-5-13(4-2)16-14(17)12-8-6-11(10-15)7-9-12/h2,11-13H,3,5-10,15H2,1H3,(H,16,17)
InChIKeyFHYFPNXSUJETLE-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.67
Rot. Bonds5

About 4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide

4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide (PubChem CID 106230552) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide
PubChem CID106230552
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide
SMILESC#CC(CCC)NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H24N2O/c1-3-5-13(4-2)16-14(17)12-8-6-11(10-15)7-9-12/h2,11-13H,3,5-10,15H2,1H3,(H,16,17)
InChIKeyFHYFPNXSUJETLE-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-yn-3-ylcyclobutanecarboxamide
CID 103528729
4-tert-butyl-N-hex-1-yn-3-ylcyclohexane-1-carboxamide
CID 114161118
N-hex-1-yn-3-yloxolane-3-carboxamide
CID 103528440
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-hex-1-yn-3-ylpiperidine-3-carboxamide
CID 106230711
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 79527189
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 79526672
(2R,5S)-5-(hex-1-yn-3-ylcarbamoyl)oxolane-2-carboxylic acid
CID 106224004
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide
CID 106230636
N-hex-1-yn-3-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 106230709
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 79526745

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide (CID 106230552) is 4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide is C#CC(CCC)NC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide?
The InChIKey is FHYFPNXSUJETLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-13(4-2)16-14(17)12-8-6-11(10-15)7-9-12/h2,11-13H,3,5-10,15H2,1H3,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 106230552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).