5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide

C15H29NO — CID 99804163

IUPAC5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)CCCC(C)(C)C
InChIInChI=1S/C15H29NO/c1-12-8-5-6-9-13(12)16-14(17)10-7-11-15(2,3)4/h12-13H,5-11H2,1-4H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyURXIKBCJQXTMDC-QWHCGFSZSA-N
MW239.40 g/mol
LogP3.90
Rot. Bonds4

About 5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide

5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide (PubChem CID 99804163) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide.

Molecular Properties

Compound Name5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
PubChem CID99804163
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)CCCC(C)(C)C
InChIInChI=1S/C15H29NO/c1-12-8-5-6-9-13(12)16-14(17)10-7-11-15(2,3)4/h12-13H,5-11H2,1-4H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyURXIKBCJQXTMDC-QWHCGFSZSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-(2-methylcyclohexyl)butanamide
CID 47005567
N-(2-methylcyclohexyl)-3-piperidin-4-ylpropanamide
CID 62210845
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604907
6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
CID 11938459
3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
CID 47116548
1-N,3-N,5-N-tris(2-methylcyclohexyl)pentane-1,3,5-tricarboxamide
CID 139666026
2-(tert-butylamino)-N-(2-methylcyclopentyl)acetamide
CID 78942036
N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide
CID 86929317
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 30827845
N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide
CID 66990087
2-bromo-N-(2-methylcyclopentyl)acetamide
CID 63681266

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide?
The IUPAC name of 5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide (CID 99804163) is 5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide.
What is the SMILES notation for 5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide?
The canonical SMILES for 5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide is C[C@H]1CCCC[C@H]1NC(=O)CCCC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide?
The InChIKey is URXIKBCJQXTMDC-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-8-5-6-9-13(12)16-14(17)10-7-11-15(2,3)4/h12-13H,5-11H2,1-4H3,(H,16,17)/t12-,13+/m0/s1.
What are the key properties of 5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide?
5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide has a molecular weight of 239.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide is sourced from PubChem (CID 99804163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).