2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide

C12H24N2O2 — CID 106135461

IUPAC2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C12H24N2O2/c1-3-12(2,13)11(16)14-8-9-4-6-10(15)7-5-9/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyDUSRQXCSEICQME-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds4

About 2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide

2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide (PubChem CID 106135461) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
PubChem CID106135461
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C12H24N2O2/c1-3-12(2,13)11(16)14-8-9-4-6-10(15)7-5-9/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyDUSRQXCSEICQME-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 79805944
2-amino-N-(cyclopentylmethyl)-2-methylbutanamide
CID 79796793
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135736
3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide
CID 114148256
2-amino-3,3,3-trifluoro-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135692
2-amino-2-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 79797743
N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508
N-[(4-hydroxycyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123782
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797123
N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide
CID 114146309
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797487
2-amino-N-[(3-hydroxycyclobutyl)methyl]-2-methylpentanamide
CID 66004244

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide (CID 106135461) is 2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide is CCC(C)(N)C(=O)NCC1CCC(O)CC1.
What is the InChIKey of 2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide?
The InChIKey is DUSRQXCSEICQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-12(2,13)11(16)14-8-9-4-6-10(15)7-5-9/h9-10,15H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide?
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 106135461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).