3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide

C13H26N2O2 — CID 114142799

IUPAC3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCC1(CO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-12(2,8-11(14)17)15-9-13(10-16)6-4-3-5-7-13/h15-16H,3-10H2,1-2H3,(H2,14,17)
InChIKeyDQIFXOSMKNIWFW-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds6

About 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide

3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide (PubChem CID 114142799) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide
PubChem CID114142799
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCC1(CO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-12(2,8-11(14)17)15-9-13(10-16)6-4-3-5-7-13/h15-16H,3-10H2,1-2H3,(H2,14,17)
InChIKeyDQIFXOSMKNIWFW-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(tert-butylamino)methyl]cyclopentyl]methanol
CID 154955274
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 112701928
2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide
CID 113293905
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide
CID 113258787
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
CID 113309032
2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide
CID 113359686
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide
CID 112702843
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603229
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide (CID 114142799) is 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide is CC(C)(CC(N)=O)NCC1(CO)CCCCC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide?
The InChIKey is DQIFXOSMKNIWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,8-11(14)17)15-9-13(10-16)6-4-3-5-7-13/h15-16H,3-10H2,1-2H3,(H2,14,17).
What are the key properties of 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide?
3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide is sourced from PubChem (CID 114142799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).