3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide

C14H28N2O2 — CID 111757470

IUPAC3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNC1(CO)CC(C)CC(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-11-7-13(2,3)9-14(8-11,10-17)16-6-5-12(18)15-4/h11,16-17H,5-10H2,1-4H3,(H,15,18)
InChIKeyRUAFWOJUPHUNAN-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.29
Rot. Bonds5

About 3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide

3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide (PubChem CID 111757470) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide
PubChem CID111757470
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNC1(CO)CC(C)CC(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-11-7-13(2,3)9-14(8-11,10-17)16-6-5-12(18)15-4/h11,16-17H,5-10H2,1-4H3,(H,15,18)
InChIKeyRUAFWOJUPHUNAN-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 97022779
[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61050703
[1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 111757450
1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione
CID 97238590
3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 96567141
3-[2-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 96567138
1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea
CID 95784243
[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61055766
N-[4-[3-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]propylsulfonyl]phenyl]acetamide
CID 95785521
2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 111543496
N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide
CID 96567193
[3,3,5-trimethyl-1-[3-(1-methylpyrazol-4-yl)propylamino]cyclohexyl]methanol
CID 111757457

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide?
The IUPAC name of 3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide (CID 111757470) is 3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide.
What is the SMILES notation for 3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide?
The canonical SMILES for 3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide is CNC(=O)CCNC1(CO)CC(C)CC(C)(C)C1.
What is the InChIKey of 3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide?
The InChIKey is RUAFWOJUPHUNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-7-13(2,3)9-14(8-11,10-17)16-6-5-12(18)15-4/h11,16-17H,5-10H2,1-4H3,(H,15,18).
What are the key properties of 3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide?
3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide is sourced from PubChem (CID 111757470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).