2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide

C11H18Cl2N2O — CID 71884420

IUPAC2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide
SMILESCN(CCNC(=O)C1(C)CC1(Cl)Cl)C1CC1
InChIInChI=1S/C11H18Cl2N2O/c1-10(7-11(10,12)13)9(16)14-5-6-15(2)8-3-4-8/h8H,3-7H2,1-2H3,(H,14,16)
InChIKeyNPFJHBSKWFJQRG-UHFFFAOYSA-N
MW265.18 g/mol
LogP1.78
Rot. Bonds5

About 2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 71884420) has the molecular formula C11H18Cl2N2O and a molecular weight of 265.18 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide
PubChem CID71884420
Molecular FormulaC11H18Cl2N2O
Molecular Weight265.18 g/mol
Exact Mass264.08
IUPAC Name2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide
SMILESCN(CCNC(=O)C1(C)CC1(Cl)Cl)C1CC1
InChIInChI=1S/C11H18Cl2N2O/c1-10(7-11(10,12)13)9(16)14-5-6-15(2)8-3-4-8/h8H,3-7H2,1-2H3,(H,14,16)
InChIKeyNPFJHBSKWFJQRG-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide (CID 71884420) is 2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide is CN(CCNC(=O)C1(C)CC1(Cl)Cl)C1CC1.
What is the InChIKey of 2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is NPFJHBSKWFJQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2N2O/c1-10(7-11(10,12)13)9(16)14-5-6-15(2)8-3-4-8/h8H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 265.18 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 71884420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).