4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide

C13H26N2O2 — CID 102636707

IUPAC4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN(C)C1CCCCC1O
InChIInChI=1S/C13H26N2O2/c1-14(2)13(17)9-6-10-15(3)11-7-4-5-8-12(11)16/h11-12,16H,4-10H2,1-3H3
InChIKeyLABBNMNGYLNMOF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.09
Rot. Bonds5

About 4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide

4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide (PubChem CID 102636707) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide
PubChem CID102636707
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN(C)C1CCCCC1O
InChIInChI=1S/C13H26N2O2/c1-14(2)13(17)9-6-10-15(3)11-7-4-5-8-12(11)16/h11-12,16H,4-10H2,1-3H3
InChIKeyLABBNMNGYLNMOF-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide (CID 102636707) is 4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide is CN(C)C(=O)CCCN(C)C1CCCCC1O.
What is the InChIKey of 4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide?
The InChIKey is LABBNMNGYLNMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14(2)13(17)9-6-10-15(3)11-7-4-5-8-12(11)16/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide?
4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 102636707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).