N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide

C7H12Cl2N2O — CID 130652201

IUPACN-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCCN)CC1(Cl)Cl
InChIInChI=1S/C7H12Cl2N2O/c1-6(4-7(6,8)9)5(12)11-3-2-10/h2-4,10H2,1H3,(H,11,12)
InChIKeyGUWSKUNMNKQOBQ-UHFFFAOYSA-N
MW211.09 g/mol
LogP0.65
Rot. Bonds3

About N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide

N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide (PubChem CID 130652201) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
PubChem CID130652201
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC NameN-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCCN)CC1(Cl)Cl
InChIInChI=1S/C7H12Cl2N2O/c1-6(4-7(6,8)9)5(12)11-3-2-10/h2-4,10H2,1H3,(H,11,12)
InChIKeyGUWSKUNMNKQOBQ-UHFFFAOYSA-N
XLogP0.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 50.65
H-Bond Donors ≤ 52
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 N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide (CID 130652201) is N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCCN)CC1(Cl)Cl.
What is the InChIKey of N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The InChIKey is GUWSKUNMNKQOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2N2O/c1-6(4-7(6,8)9)5(12)11-3-2-10/h2-4,10H2,1H3,(H,11,12).
What are the key properties of N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide has a molecular weight of 211.09 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130652201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).