(2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one

C18H35NO — CID 138500128

IUPAC(2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one
SMILESCN([C@H](CC1CCCCC1)C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H35NO/c1-17(2,3)16(20)15(19(7)18(4,5)6)13-14-11-9-8-10-12-14/h14-15H,8-13H2,1-7H3/t15-/m1/s1
InChIKeyJKNQXQIZLJOCLG-OAHLLOKOSA-N
MW281.48 g/mol
LogP4.67
Rot. Bonds4

About (2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one

(2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one (PubChem CID 138500128) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one
PubChem CID138500128
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name(2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one
SMILESCN([C@H](CC1CCCCC1)C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H35NO/c1-17(2,3)16(20)15(19(7)18(4,5)6)13-14-11-9-8-10-12-14/h14-15H,8-13H2,1-7H3/t15-/m1/s1
InChIKeyJKNQXQIZLJOCLG-OAHLLOKOSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
(4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide
CID 170423984
tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid
CID 69298750
2-(1-cyclobutylpropan-2-ylamino)-N,N,2-trimethylpropanamide
CID 115920238
methyl 2-(cyclohexylmethyl)-3-hydroxy-3-methylbutanoate
CID 164683725
2-amino-3-cyclohexyl-N,N-dimethylpropanamide
CID 83618462
3-cyclobutyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 116861122
4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane
CID 161063092
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
tert-butyl-[(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethyl]carbamic acid
CID 87182551
2-(tert-butylamino)-3-cyclopentyl-N-methoxy-N-methylpropanamide
CID 141416123
tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one?
The IUPAC name of (2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one (CID 138500128) is (2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one.
What is the SMILES notation for (2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one?
The canonical SMILES for (2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one is CN([C@H](CC1CCCCC1)C(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one?
The InChIKey is JKNQXQIZLJOCLG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H35NO/c1-17(2,3)16(20)15(19(7)18(4,5)6)13-14-11-9-8-10-12-14/h14-15H,8-13H2,1-7H3/t15-/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one?
(2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one has a molecular weight of 281.48 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one is sourced from PubChem (CID 138500128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).