N-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide

C13H26N2O — CID 115183170

IUPACN-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCCCC(C)(C)CNC(=O)C1(CNC)CC1
InChIInChI=1S/C13H26N2O/c1-5-6-12(2,3)9-15-11(16)13(7-8-13)10-14-4/h14H,5-10H2,1-4H3,(H,15,16)
InChIKeyCGEHVTQBWGQENG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds7

About N-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide

N-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide (PubChem CID 115183170) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
PubChem CID115183170
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCCCC(C)(C)CNC(=O)C1(CNC)CC1
InChIInChI=1S/C13H26N2O/c1-5-6-12(2,3)9-15-11(16)13(7-8-13)10-14-4/h14H,5-10H2,1-4H3,(H,15,16)
InChIKeyCGEHVTQBWGQENG-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183179
N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114149392
1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide
CID 106292120
N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
CID 115365659
N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide
CID 103461536
N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 103825192
N-(cyclopentylmethyl)-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183725
3-(2,2-dimethylpentylamino)-2-(methylamino)-3-oxopropanoic acid
CID 115189563
N-tert-butyl-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182931
3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide
CID 115155111
N-(5-hydroxy-2,2-dimethylpentyl)-2-propylpyrrolidine-2-carboxamide
CID 106148123
[1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol
CID 115243777

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide (CID 115183170) is N-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide is CCCC(C)(C)CNC(=O)C1(CNC)CC1.
What is the InChIKey of N-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The InChIKey is CGEHVTQBWGQENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-6-12(2,3)9-15-11(16)13(7-8-13)10-14-4/h14H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide?
N-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpentyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115183170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).