N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide

C11H22N2O — CID 103805727

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
SMILESCCC(C)C(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C11H22N2O/c1-3-8(2)11(14)13-10-7-5-4-6-9(10)12/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8?,9-,10-/m1/s1
InChIKeyOCCAYEUVESZVQE-VXRWAFEHSA-N
MW198.31 g/mol
LogP1.42
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide

N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide (PubChem CID 103805727) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
PubChem CID103805727
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
SMILESCCC(C)C(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C11H22N2O/c1-3-8(2)11(14)13-10-7-5-4-6-9(10)12/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8?,9-,10-/m1/s1
InChIKeyOCCAYEUVESZVQE-VXRWAFEHSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-N-(piperidin-3-yl)propanamide
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N-{[(dimethylamino)cyclohexyl]methyl}butanamide
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3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
CID 10612186
2-Amino-N-cyclohexylpropanamide
CID 13992965
(2S)-2-amino-N-hexyl-3-methylbutanamide
CID 53855464
(R)-2-Amino-N-(cyclohexylmethyl)-3-methylbutanamide
CID 54757478
N-Dodecyl-L-valinamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide (CID 103805727) is N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide is CCC(C)C(=O)N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide?
The InChIKey is OCCAYEUVESZVQE-VXRWAFEHSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-8(2)11(14)13-10-7-5-4-6-9(10)12/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8?,9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide?
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide has a molecular weight of 198.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide is sourced from PubChem (CID 103805727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).