(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide

C15H30N2O — CID 113353538

IUPAC(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)[C@H](N)C(C)(C)C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H30N2O/c1-14(2,3)12(16)13(18)17(6)11-7-9-15(4,5)10-8-11/h11-12H,7-10,16H2,1-6H3/t12-/m0/s1
InChIKeyQQQNWRYYGDHLAG-LBPRGKRZSA-N
MW254.42 g/mol
LogP2.79
Rot. Bonds2

About (2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide

(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide (PubChem CID 113353538) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
PubChem CID113353538
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)[C@H](N)C(C)(C)C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H30N2O/c1-14(2,3)12(16)13(18)17(6)11-7-9-15(4,5)10-8-11/h11-12H,7-10,16H2,1-6H3/t12-/m0/s1
InChIKeyQQQNWRYYGDHLAG-LBPRGKRZSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopentyl-N,3,3-trimethylbutanamide
CID 76893337
(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride
CID 119328237
(2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 103929164
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 76893547
(2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide
CID 99850045
2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide
CID 173122588
2-amino-N-(4,4-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312536
2-amino-N,3,3-trimethylbutanehydrazide
CID 116848874
2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide
CID 23595876
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide
CID 114290836
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine
CID 20707077

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide (CID 113353538) is (2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide is CN(C(=O)[C@H](N)C(C)(C)C)C1CCC(C)(C)CC1.
What is the InChIKey of (2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide?
The InChIKey is QQQNWRYYGDHLAG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,3)12(16)13(18)17(6)11-7-9-15(4,5)10-8-11/h11-12H,7-10,16H2,1-6H3/t12-/m0/s1.
What are the key properties of (2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide?
(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide has a molecular weight of 254.42 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 113353538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).