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

C11H20N2O — CID 123489704

IUPAC4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide
SMILESCC=C(C)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C11H20N2O/c1-3-8(2)13-11(14)9-4-6-10(12)7-5-9/h3,9-10H,4-7,12H2,1-2H3,(H,13,14)
InChIKeyKPSIVGDQKZBUHP-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.54
Rot. Bonds2

About 4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide

4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide (PubChem CID 123489704) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide
PubChem CID123489704
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide
SMILESCC=C(C)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C11H20N2O/c1-3-8(2)13-11(14)9-4-6-10(12)7-5-9/h3,9-10H,4-7,12H2,1-2H3,(H,13,14)
InChIKeyKPSIVGDQKZBUHP-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide (CID 123489704) is 4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide is CC=C(C)NC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide?
The InChIKey is KPSIVGDQKZBUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-8(2)13-11(14)9-4-6-10(12)7-5-9/h3,9-10H,4-7,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide?
4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 123489704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).