N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide

C12H22N2O — CID 102638959

IUPACN-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(C)C1CCCCC1N
InChIInChI=1S/C12H22N2O/c1-8-7-9(8)12(15)14(2)11-6-4-3-5-10(11)13/h8-11H,3-7,13H2,1-2H3
InChIKeyJSYKSIQHMXABCJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.37
Rot. Bonds2

About N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide

N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 102638959) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID102638959
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(C)C1CCCCC1N
InChIInChI=1S/C12H22N2O/c1-8-7-9(8)12(15)14(2)11-6-4-3-5-10(11)13/h8-11H,3-7,13H2,1-2H3
InChIKeyJSYKSIQHMXABCJ-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide (CID 102638959) is N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide is CC1CC1C(=O)N(C)C1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is JSYKSIQHMXABCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8-7-9(8)12(15)14(2)11-6-4-3-5-10(11)13/h8-11H,3-7,13H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide?
N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 102638959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).