1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one

C19H29NO — CID 67188253

IUPAC1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)CCCc1ccccn1
InChIInChI=1S/C19H29NO/c1-14(2)17-11-10-15(3)13-18(17)19(21)9-6-8-16-7-4-5-12-20-16/h4-5,7,12,14-15,17-18H,6,8-11,13H2,1-3H3/t15-,17+,18-/m1/s1
InChIKeyRAWCASYMQKSJQS-BPQIPLTHSA-N
MW287.45 g/mol
LogP4.68
Rot. Bonds6

About 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one

1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one (PubChem CID 67188253) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one
PubChem CID67188253
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)CCCc1ccccn1
InChIInChI=1S/C19H29NO/c1-14(2)17-11-10-15(3)13-18(17)19(21)9-6-8-16-7-4-5-12-20-16/h4-5,7,12,14-15,17-18H,6,8-11,13H2,1-3H3/t15-,17+,18-/m1/s1
InChIKeyRAWCASYMQKSJQS-BPQIPLTHSA-N
XLogP4.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one with MolForge

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Related Compounds

(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 67284066
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone
CID 10955833
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate
CID 134351227
4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide
CID 58384227
1-[(4aR,6R,8aR)-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 97213186
4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one
CID 161107580
4-methyl-2-(2-pyridin-2-ylethyl)cyclohexan-1-ol
CID 79423318
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
5,5-dimethyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 122582438
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
N-cyclopropyl-4-pyridin-2-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 95625250
N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 53345814

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one (CID 67188253) is 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)CCCc1ccccn1.
What is the InChIKey of 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one?
The InChIKey is RAWCASYMQKSJQS-BPQIPLTHSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)17-11-10-15(3)13-18(17)19(21)9-6-8-16-7-4-5-12-20-16/h4-5,7,12,14-15,17-18H,6,8-11,13H2,1-3H3/t15-,17+,18-/m1/s1.
What are the key properties of 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one?
1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 67188253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).