2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide

C10H20N2O — CID 59780086

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
SMILESCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C10H20N2O/c1-12-9(13)7-10(8-11)5-3-2-4-6-10/h2-8,11H2,1H3,(H,12,13)
InChIKeyJZBGVJXDOBDDOH-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.03
Rot. Bonds3

About 2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide

2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide (PubChem CID 59780086) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
PubChem CID59780086
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
SMILESCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C10H20N2O/c1-12-9(13)7-10(8-11)5-3-2-4-6-10/h2-8,11H2,1H3,(H,12,13)
InChIKeyJZBGVJXDOBDDOH-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide
CID 104678316
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide
CID 104677352
2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide
CID 104677624
2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide
CID 103307783
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
CID 113440144
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide (CID 59780086) is 2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide is CNC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide?
The InChIKey is JZBGVJXDOBDDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-12-9(13)7-10(8-11)5-3-2-4-6-10/h2-8,11H2,1H3,(H,12,13).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide has a molecular weight of 184.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 59780086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).