2-[(2-methylcyclohexyl)amino]butanamide

C11H22N2O — CID 62901176

IUPAC2-[(2-methylcyclohexyl)amino]butanamide
SMILESCCC(NC1CCCCC1C)C(N)=O
InChIInChI=1S/C11H22N2O/c1-3-9(11(12)14)13-10-7-5-4-6-8(10)2/h8-10,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyAZASIGYCMJBSBC-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.42
Rot. Bonds4

About 2-[(2-methylcyclohexyl)amino]butanamide

2-[(2-methylcyclohexyl)amino]butanamide (PubChem CID 62901176) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)amino]butanamide.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)amino]butanamide
PubChem CID62901176
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[(2-methylcyclohexyl)amino]butanamide
SMILESCCC(NC1CCCCC1C)C(N)=O
InChIInChI=1S/C11H22N2O/c1-3-9(11(12)14)13-10-7-5-4-6-8(10)2/h8-10,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyAZASIGYCMJBSBC-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 2-[(2-methylcyclohexyl)amino]butanamide?
The IUPAC name of 2-[(2-methylcyclohexyl)amino]butanamide (CID 62901176) is 2-[(2-methylcyclohexyl)amino]butanamide.
What is the SMILES notation for 2-[(2-methylcyclohexyl)amino]butanamide?
The canonical SMILES for 2-[(2-methylcyclohexyl)amino]butanamide is CCC(NC1CCCCC1C)C(N)=O.
What is the InChIKey of 2-[(2-methylcyclohexyl)amino]butanamide?
The InChIKey is AZASIGYCMJBSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-9(11(12)14)13-10-7-5-4-6-8(10)2/h8-10,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 2-[(2-methylcyclohexyl)amino]butanamide?
2-[(2-methylcyclohexyl)amino]butanamide has a molecular weight of 198.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)amino]butanamide is sourced from PubChem (CID 62901176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).