4-[(1-hydroxycyclohexyl)methylamino]butanamide

C11H22N2O2 — CID 60908741

IUPAC4-[(1-hydroxycyclohexyl)methylamino]butanamide
SMILESNC(=O)CCCNCC1(O)CCCCC1
InChIInChI=1S/C11H22N2O2/c12-10(14)5-4-8-13-9-11(15)6-2-1-3-7-11/h13,15H,1-9H2,(H2,12,14)
InChIKeyIDFGMFIYQLABNR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.54
Rot. Bonds6

About 4-[(1-hydroxycyclohexyl)methylamino]butanamide

4-[(1-hydroxycyclohexyl)methylamino]butanamide (PubChem CID 60908741) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[(1-hydroxycyclohexyl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(1-hydroxycyclohexyl)methylamino]butanamide
PubChem CID60908741
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-[(1-hydroxycyclohexyl)methylamino]butanamide
SMILESNC(=O)CCCNCC1(O)CCCCC1
InChIInChI=1S/C11H22N2O2/c12-10(14)5-4-8-13-9-11(15)6-2-1-3-7-11/h13,15H,1-9H2,(H2,12,14)
InChIKeyIDFGMFIYQLABNR-UHFFFAOYSA-N
XLogP0.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(1-hydroxycyclohexyl)methylamino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclohexyl)methylamino]butanamide?
The IUPAC name of 4-[(1-hydroxycyclohexyl)methylamino]butanamide (CID 60908741) is 4-[(1-hydroxycyclohexyl)methylamino]butanamide.
What is the SMILES notation for 4-[(1-hydroxycyclohexyl)methylamino]butanamide?
The canonical SMILES for 4-[(1-hydroxycyclohexyl)methylamino]butanamide is NC(=O)CCCNCC1(O)CCCCC1.
What is the InChIKey of 4-[(1-hydroxycyclohexyl)methylamino]butanamide?
The InChIKey is IDFGMFIYQLABNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-10(14)5-4-8-13-9-11(15)6-2-1-3-7-11/h13,15H,1-9H2,(H2,12,14).
What are the key properties of 4-[(1-hydroxycyclohexyl)methylamino]butanamide?
4-[(1-hydroxycyclohexyl)methylamino]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclohexyl)methylamino]butanamide is sourced from PubChem (CID 60908741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).