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

C13H24N2O2 — CID 112703981

IUPAC2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESO=C(CNC1CC1)NCC1(CO)CCCCC1
InChIInChI=1S/C13H24N2O2/c16-10-13(6-2-1-3-7-13)9-15-12(17)8-14-11-4-5-11/h11,14,16H,1-10H2,(H,15,17)
InChIKeyYWTAFKNJLOMYRO-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.80
Rot. Bonds6

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

2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (PubChem CID 112703981) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
PubChem CID112703981
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESO=C(CNC1CC1)NCC1(CO)CCCCC1
InChIInChI=1S/C13H24N2O2/c16-10-13(6-2-1-3-7-13)9-15-12(17)8-14-11-4-5-11/h11,14,16H,1-10H2,(H,15,17)
InChIKeyYWTAFKNJLOMYRO-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 103966753
2-(cyclopentylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide
CID 60687122
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetamide
CID 115359623
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 112699710
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetamide
CID 103966529
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
[1-[[(1-oxothian-4-yl)amino]methyl]cyclohexyl]methanol
CID 113359582
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699817
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966037
2-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570312

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (CID 112703981) is 2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is O=C(CNC1CC1)NCC1(CO)CCCCC1.
What is the InChIKey of 2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The InChIKey is YWTAFKNJLOMYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-10-13(6-2-1-3-7-13)9-15-12(17)8-14-11-4-5-11/h11,14,16H,1-10H2,(H,15,17).
What are the key properties of 2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide has a molecular weight of 240.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 112703981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).