2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide

C16H31N3O — CID 79120936

IUPAC2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
SMILESCN(CC(=O)NC1CCCCCC1)C1CCC(N)CC1
InChIInChI=1S/C16H31N3O/c1-19(15-10-8-13(17)9-11-15)12-16(20)18-14-6-4-2-3-5-7-14/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyCCEYPRZGGXFBLZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.03
Rot. Bonds4

About 2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide

2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide (PubChem CID 79120936) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
PubChem CID79120936
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
SMILESCN(CC(=O)NC1CCCCCC1)C1CCC(N)CC1
InChIInChI=1S/C16H31N3O/c1-19(15-10-8-13(17)9-11-15)12-16(20)18-14-6-4-2-3-5-7-14/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyCCEYPRZGGXFBLZ-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide
CID 79122123
2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
CID 102639901
2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 79113302
1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
CID 79121066
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;dihydrochloride
CID 86277381
N-cyclohexyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63644075
N-cyclohexyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922828
2-[cyclohexyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 40706155
2-[cycloheptyl(methyl)amino]acetohydrazide
CID 63574269
2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide
CID 79121088
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide
CID 60729940
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cycloheptylacetamide
CID 55024099

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide (CID 79120936) is 2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide is CN(CC(=O)NC1CCCCCC1)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide?
The InChIKey is CCEYPRZGGXFBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-19(15-10-8-13(17)9-11-15)12-16(20)18-14-6-4-2-3-5-7-14/h13-15H,2-12,17H2,1H3,(H,18,20).
What are the key properties of 2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide?
2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide has a molecular weight of 281.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide is sourced from PubChem (CID 79120936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).