2-[(3-aminocyclohexyl)-methylamino]acetamide

C9H19N3O — CID 79467648

IUPAC2-[(3-aminocyclohexyl)-methylamino]acetamide
SMILESCN(CC(N)=O)C1CCCC(N)C1
InChIInChI=1S/C9H19N3O/c1-12(6-9(11)13)8-4-2-3-7(10)5-8/h7-8H,2-6,10H2,1H3,(H2,11,13)
InChIKeyQHMXPFHQELROJR-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.33
Rot. Bonds3

About 2-[(3-aminocyclohexyl)-methylamino]acetamide

2-[(3-aminocyclohexyl)-methylamino]acetamide (PubChem CID 79467648) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(3-aminocyclohexyl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-aminocyclohexyl)-methylamino]acetamide
PubChem CID79467648
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(3-aminocyclohexyl)-methylamino]acetamide
SMILESCN(CC(N)=O)C1CCCC(N)C1
InChIInChI=1S/C9H19N3O/c1-12(6-9(11)13)8-4-2-3-7(10)5-8/h7-8H,2-6,10H2,1H3,(H2,11,13)
InChIKeyQHMXPFHQELROJR-UHFFFAOYSA-N
XLogP-0.33
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide
CID 79469564
2-(3-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide
CID 62782563
2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide
CID 79467903
2-(3-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-cyclopentylpropanamide
CID 106592765
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine
CID 79469197
1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol
CID 114953874
2-[(3-aminocyclopentyl)-propan-2-ylamino]acetamide
CID 79468332
2-[(4,4-difluorocyclohexyl)-methylamino]acetamide
CID 126787710
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
2-[(3,3-dimethylcyclopentyl)-methylamino]acetamide
CID 131106276

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclohexyl)-methylamino]acetamide?
The IUPAC name of 2-[(3-aminocyclohexyl)-methylamino]acetamide (CID 79467648) is 2-[(3-aminocyclohexyl)-methylamino]acetamide.
What is the SMILES notation for 2-[(3-aminocyclohexyl)-methylamino]acetamide?
The canonical SMILES for 2-[(3-aminocyclohexyl)-methylamino]acetamide is CN(CC(N)=O)C1CCCC(N)C1.
What is the InChIKey of 2-[(3-aminocyclohexyl)-methylamino]acetamide?
The InChIKey is QHMXPFHQELROJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12(6-9(11)13)8-4-2-3-7(10)5-8/h7-8H,2-6,10H2,1H3,(H2,11,13).
What are the key properties of 2-[(3-aminocyclohexyl)-methylamino]acetamide?
2-[(3-aminocyclohexyl)-methylamino]acetamide has a molecular weight of 185.27 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclohexyl)-methylamino]acetamide is sourced from PubChem (CID 79467648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).