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

C11H18N2O — CID 114417175

IUPAC1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide
SMILESC#CC(C)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C11H18N2O/c1-3-9(2)13-10(14)11(12)7-5-4-6-8-11/h1,9H,4-8,12H2,2H3,(H,13,14)
InChIKeyDOXUTHOKSGWLQB-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.79
Rot. Bonds2

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

1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide (PubChem CID 114417175) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide
PubChem CID114417175
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide
SMILESC#CC(C)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C11H18N2O/c1-3-9(2)13-10(14)11(12)7-5-4-6-8-11/h1,9H,4-8,12H2,2H3,(H,13,14)
InChIKeyDOXUTHOKSGWLQB-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.79
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

3-amino-N-but-3-yn-2-yloxolane-3-carboxamide
CID 114417231
1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106344921
1-amino-N-pent-1-yn-3-ylcyclobutane-1-carboxamide
CID 106230384
1-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 93315430
1-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60944631
1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119263591
1-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119292056
1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119263350
1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 82945894
1-amino-N-(1-cyclohexylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119279818
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide (CID 114417175) is 1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide is C#CC(C)NC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide?
The InChIKey is DOXUTHOKSGWLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-9(2)13-10(14)11(12)7-5-4-6-8-11/h1,9H,4-8,12H2,2H3,(H,13,14).
What are the key properties of 1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide?
1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-but-3-yn-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 114417175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).