1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide

C12H22N2O — CID 65458422

IUPAC1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide
SMILESCC1CC(C)CC(NC(=O)C2(N)CC2)C1
InChIInChI=1S/C12H22N2O/c1-8-5-9(2)7-10(6-8)14-11(15)12(13)3-4-12/h8-10H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyRZHCCDIOGGMEQU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.42
Rot. Bonds2

About 1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide

1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide (PubChem CID 65458422) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide
PubChem CID65458422
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide
SMILESCC1CC(C)CC(NC(=O)C2(N)CC2)C1
InChIInChI=1S/C12H22N2O/c1-8-5-9(2)7-10(6-8)14-11(15)12(13)3-4-12/h8-10H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyRZHCCDIOGGMEQU-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide (CID 65458422) is 1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide is CC1CC(C)CC(NC(=O)C2(N)CC2)C1.
What is the InChIKey of 1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide?
The InChIKey is RZHCCDIOGGMEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8-5-9(2)7-10(6-8)14-11(15)12(13)3-4-12/h8-10H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of 1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide?
1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65458422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).