3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide

C15H30N2O2 — CID 106361550

IUPAC3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)CC(N)CC(=O)NC1CCCCC1CO
InChIInChI=1S/C15H30N2O2/c1-15(2,3)9-12(16)8-14(19)17-13-7-5-4-6-11(13)10-18/h11-13,18H,4-10,16H2,1-3H3,(H,17,19)
InChIKeyJHTISBWGGSFWIG-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.81
Rot. Bonds5

About 3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide

3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide (PubChem CID 106361550) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide.

Molecular Properties

Compound Name3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide
PubChem CID106361550
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)CC(N)CC(=O)NC1CCCCC1CO
InChIInChI=1S/C15H30N2O2/c1-15(2,3)9-12(16)8-14(19)17-13-7-5-4-6-11(13)10-18/h11-13,18H,4-10,16H2,1-3H3,(H,17,19)
InChIKeyJHTISBWGGSFWIG-UHFFFAOYSA-N
XLogP1.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide
CID 114178708
2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860522
N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 97235341
N-[2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 97235338
N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide
CID 113340476
5-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 106361473
(2R)-2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361381
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361456
3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103816678
2-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 114178728
N-[2-(hydroxymethyl)cyclopentyl]-2,2-dimethylpropanamide
CID 103751419
2-amino-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 103796946

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide?
The IUPAC name of 3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide (CID 106361550) is 3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide.
What is the SMILES notation for 3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide?
The canonical SMILES for 3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide is CC(C)(C)CC(N)CC(=O)NC1CCCCC1CO.
What is the InChIKey of 3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide?
The InChIKey is JHTISBWGGSFWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(2,3)9-12(16)8-14(19)17-13-7-5-4-6-11(13)10-18/h11-13,18H,4-10,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide?
3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide has a molecular weight of 270.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide is sourced from PubChem (CID 106361550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).