2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide

C13H23Cl2NO — CID 78861201

IUPAC2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C13H23Cl2NO/c1-9(2)6-16(7-10(3)4)11(17)12(5)8-13(12,14)15/h9-10H,6-8H2,1-5H3
InChIKeyRMCOMJFCUVCQJO-UHFFFAOYSA-N
MW280.24 g/mol
LogP3.71
Rot. Bonds5

About 2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide (PubChem CID 78861201) has the molecular formula C13H23Cl2NO and a molecular weight of 280.24 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide
PubChem CID78861201
Molecular FormulaC13H23Cl2NO
Molecular Weight280.24 g/mol
Exact Mass279.12
IUPAC Name2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C13H23Cl2NO/c1-9(2)6-16(7-10(3)4)11(17)12(5)8-13(12,14)15/h9-10H,6-8H2,1-5H3
InChIKeyRMCOMJFCUVCQJO-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide (CID 78861201) is 2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide is CC(C)CN(CC(C)C)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide?
The InChIKey is RMCOMJFCUVCQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl2NO/c1-9(2)6-16(7-10(3)4)11(17)12(5)8-13(12,14)15/h9-10H,6-8H2,1-5H3.
What are the key properties of 2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide has a molecular weight of 280.24 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78861201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).