3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide

C13H26N2O2 — CID 112701928

IUPAC3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-12(2,8-14)11(17)15-9-13(10-16)6-4-3-5-7-13/h16H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyLRYDXRFYZNTBJJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.03
Rot. Bonds5

About 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide

3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide (PubChem CID 112701928) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
PubChem CID112701928
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-12(2,8-14)11(17)15-9-13(10-16)6-4-3-5-7-13/h16H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyLRYDXRFYZNTBJJ-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
CID 113309032
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
3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 81485319
2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide
CID 113359686
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide
CID 114142799
[1-[(tert-butylamino)methyl]cyclopentyl]methanol
CID 154955274
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide
CID 112702843
1-[[(2-amino-2-methylpropanoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444450

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide (CID 112701928) is 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide is CC(C)(CN)C(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is LRYDXRFYZNTBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,8-14)11(17)15-9-13(10-16)6-4-3-5-7-13/h16H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide?
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112701928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).