N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide

C12H21NO — CID 122692182

IUPACN-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide
SMILESCCCN(CC1(C)CC1)C(=O)C1CC1
InChIInChI=1S/C12H21NO/c1-3-8-13(9-12(2)6-7-12)11(14)10-4-5-10/h10H,3-9H2,1-2H3
InChIKeyGCAYFSXITZZMJJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.44
Rot. Bonds5

About N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide

N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide (PubChem CID 122692182) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide
PubChem CID122692182
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide
SMILESCCCN(CC1(C)CC1)C(=O)C1CC1
InChIInChI=1S/C12H21NO/c1-3-8-13(9-12(2)6-7-12)11(14)10-4-5-10/h10H,3-9H2,1-2H3
InChIKeyGCAYFSXITZZMJJ-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide (CID 122692182) is N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide is CCCN(CC1(C)CC1)C(=O)C1CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide?
The InChIKey is GCAYFSXITZZMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-8-13(9-12(2)6-7-12)11(14)10-4-5-10/h10H,3-9H2,1-2H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide?
N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide is sourced from PubChem (CID 122692182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).