2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

C12H24N2O2 — CID 112699817

IUPAC2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESCN(C)CC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-14(2)8-11(16)13-9-12(10-15)6-4-3-5-7-12/h15H,3-10H2,1-2H3,(H,13,16)
InChIKeyBUYZOGZAQGTHOI-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds5

About 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (PubChem CID 112699817) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
PubChem CID112699817
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESCN(C)CC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-14(2)8-11(16)13-9-12(10-15)6-4-3-5-7-12/h15H,3-10H2,1-2H3,(H,13,16)
InChIKeyBUYZOGZAQGTHOI-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114757294
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 103966753
2-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570312
4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966037
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 113313381
3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966735
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603229

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (CID 112699817) is 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is CN(C)CC(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The InChIKey is BUYZOGZAQGTHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(2)8-11(16)13-9-12(10-15)6-4-3-5-7-12/h15H,3-10H2,1-2H3,(H,13,16).
What are the key properties of 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 112699817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).