2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide

C13H26N2O — CID 64685530

IUPAC2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-4-10-15(2)12(16)11-13(14)8-6-5-7-9-13/h3-11,14H2,1-2H3
InChIKeyYUZZUWFAYXWNIH-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.30
Rot. Bonds5

About 2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide

2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide (PubChem CID 64685530) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide
PubChem CID64685530
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-4-10-15(2)12(16)11-13(14)8-6-5-7-9-13/h3-11,14H2,1-2H3
InChIKeyYUZZUWFAYXWNIH-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide
CID 81058742
2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide
CID 64686254
1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437254
2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 64678540
2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
CID 102992933
2-(1-aminocyclopentyl)-N-ethyl-N-propylacetamide
CID 64684374
2-(1-aminocyclohexyl)-N-cyclopropyl-N-propylacetamide
CID 64684772
2-(1-aminocyclopentyl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 64677838
2-(1-aminocyclopentyl)-N-cyclohexyl-N-methylacetamide
CID 64684539
2-(1-aminocyclopentyl)-N-methyl-N-pentan-3-ylacetamide
CID 64685380
2-(1-aminocyclohexyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
CID 64685095
2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide
CID 79853666

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide (CID 64685530) is 2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide is CCCCN(C)C(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide?
The InChIKey is YUZZUWFAYXWNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-10-15(2)12(16)11-13(14)8-6-5-7-9-13/h3-11,14H2,1-2H3.
What are the key properties of 2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide?
2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide has a molecular weight of 226.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide is sourced from PubChem (CID 64685530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).