3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide

C11H20N2O — CID 115739612

IUPAC3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide
SMILESC=CC(C)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C11H20N2O/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h3,8-10H,1,4-7,12H2,2H3,(H,13,14)
InChIKeyIRDLAFBLPSOSJH-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.19
Rot. Bonds3

About 3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide

3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide (PubChem CID 115739612) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide
PubChem CID115739612
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide
SMILESC=CC(C)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C11H20N2O/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h3,8-10H,1,4-7,12H2,2H3,(H,13,14)
InChIKeyIRDLAFBLPSOSJH-UHFFFAOYSA-N
XLogP1.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.19
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

3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119793621
methyl (2S)-2-[(3-aminocyclohexanecarbonyl)amino]propanoate
CID 63044300
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
2-[(3-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 63045913
3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 119778147
(2S,3S)-2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoic acid
CID 63044886
3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 63043214
6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid
CID 65286189
ethyl 2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoate
CID 119808262
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
1-[(1R,3S)-3-aminocyclohexyl]prop-2-en-1-one
CID 178190936

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide (CID 115739612) is 3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide is C=CC(C)NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide?
The InChIKey is IRDLAFBLPSOSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h3,8-10H,1,4-7,12H2,2H3,(H,13,14).
What are the key properties of 3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide?
3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 115739612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).