2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide

C12H24N2O2 — CID 102632097

IUPAC2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide
SMILESCCC(C)(N)C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C12H24N2O2/c1-4-12(2,13)11(16)14(3)9-7-5-6-8-10(9)15/h9-10,15H,4-8,13H2,1-3H3
InChIKeyYKMSNKVRSBSGBM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.88
Rot. Bonds3

About 2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide

2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide (PubChem CID 102632097) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide
PubChem CID102632097
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide
SMILESCCC(C)(N)C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C12H24N2O2/c1-4-12(2,13)11(16)14(3)9-7-5-6-8-10(9)15/h9-10,15H,4-8,13H2,1-3H3
InChIKeyYKMSNKVRSBSGBM-UHFFFAOYSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide (CID 102632097) is 2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide is CCC(C)(N)C(=O)N(C)C1CCCCC1O.
What is the InChIKey of 2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide?
The InChIKey is YKMSNKVRSBSGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(2,13)11(16)14(3)9-7-5-6-8-10(9)15/h9-10,15H,4-8,13H2,1-3H3.
What are the key properties of 2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide?
2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 102632097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).