3-amino-N-(4-methylcyclohexyl)butanamide

C11H22N2O — CID 60835833

IUPAC3-amino-N-(4-methylcyclohexyl)butanamide
SMILESCC(N)CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C11H22N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyNOWWRUJQGQCJCP-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.42
Rot. Bonds3

About 3-amino-N-(4-methylcyclohexyl)butanamide

3-amino-N-(4-methylcyclohexyl)butanamide (PubChem CID 60835833) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-amino-N-(4-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(4-methylcyclohexyl)butanamide
PubChem CID60835833
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-amino-N-(4-methylcyclohexyl)butanamide
SMILESCC(N)CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C11H22N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyNOWWRUJQGQCJCP-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methylcyclohexyl)butanamide?
The IUPAC name of 3-amino-N-(4-methylcyclohexyl)butanamide (CID 60835833) is 3-amino-N-(4-methylcyclohexyl)butanamide.
What is the SMILES notation for 3-amino-N-(4-methylcyclohexyl)butanamide?
The canonical SMILES for 3-amino-N-(4-methylcyclohexyl)butanamide is CC(N)CC(=O)NC1CCC(C)CC1.
What is the InChIKey of 3-amino-N-(4-methylcyclohexyl)butanamide?
The InChIKey is NOWWRUJQGQCJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12/h8-10H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-N-(4-methylcyclohexyl)butanamide?
3-amino-N-(4-methylcyclohexyl)butanamide has a molecular weight of 198.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methylcyclohexyl)butanamide is sourced from PubChem (CID 60835833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).