(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one

C12H23NO — CID 58418389

IUPAC(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one
SMILESCC(C)[C@@H](N)C(=O)CC1CCCCC1
InChIInChI=1S/C12H23NO/c1-9(2)12(13)11(14)8-10-6-4-3-5-7-10/h9-10,12H,3-8,13H2,1-2H3/t12-/m1/s1
InChIKeyJTNIQYOIVYPTIC-GFCCVEGCSA-N
MW197.32 g/mol
LogP2.51
Rot. Bonds4

About (3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one

(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one (PubChem CID 58418389) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one
PubChem CID58418389
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one
SMILESCC(C)[C@@H](N)C(=O)CC1CCCCC1
InChIInChI=1S/C12H23NO/c1-9(2)12(13)11(14)8-10-6-4-3-5-7-10/h9-10,12H,3-8,13H2,1-2H3/t12-/m1/s1
InChIKeyJTNIQYOIVYPTIC-GFCCVEGCSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexylmethyl 2-amino-3-methylbutanoate
CID 62383261
1-cyclopentyl-3-hydroxybutan-2-one
CID 103451317
4-amino-1-cyclohexyl-5-methylhexan-2-one
CID 116606337
(3R)-3-amino-1-cyclopropylbutan-2-one
CID 96732436
1-cyclohexyl-3-ethylpentan-2-one
CID 114967631
(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516
2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
CID 119279206
3-(aminomethyl)-1-cyclohexylpentan-2-one
CID 116575171
(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide
CID 119327911
4-cyclopentyl-2-methyl-3-oxobutanenitrile
CID 60758153
3-amino-1-cyclohexylhex-5-en-2-one
CID 116606979
1-cyclopentyl-3-hydroxypentan-2-one
CID 103452923

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one?
The IUPAC name of (3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one (CID 58418389) is (3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one.
What is the SMILES notation for (3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one?
The canonical SMILES for (3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one is CC(C)[C@@H](N)C(=O)CC1CCCCC1.
What is the InChIKey of (3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one?
The InChIKey is JTNIQYOIVYPTIC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)12(13)11(14)8-10-6-4-3-5-7-10/h9-10,12H,3-8,13H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one?
(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one is sourced from PubChem (CID 58418389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).