N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine

C7H11Cl2N — CID 164655887

IUPACN-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine
SMILESCC1(NCC=C(Cl)Cl)CC1
InChIInChI=1S/C7H11Cl2N/c1-7(3-4-7)10-5-2-6(8)9/h2,10H,3-5H2,1H3
InChIKeyKURKRTOUQOWATA-UHFFFAOYSA-N
MW180.08 g/mol
LogP2.45
Rot. Bonds3

About N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine

N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine (PubChem CID 164655887) has the molecular formula C7H11Cl2N and a molecular weight of 180.08 g/mol. Its IUPAC name is N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine
PubChem CID164655887
Molecular FormulaC7H11Cl2N
Molecular Weight180.08 g/mol
Exact Mass179.03
IUPAC NameN-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine
SMILESCC1(NCC=C(Cl)Cl)CC1
InChIInChI=1S/C7H11Cl2N/c1-7(3-4-7)10-5-2-6(8)9/h2,10H,3-5H2,1H3
InChIKeyKURKRTOUQOWATA-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.08
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine?
The IUPAC name of N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine (CID 164655887) is N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine?
The canonical SMILES for N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine is CC1(NCC=C(Cl)Cl)CC1.
What is the InChIKey of N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine?
The InChIKey is KURKRTOUQOWATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2N/c1-7(3-4-7)10-5-2-6(8)9/h2,10H,3-5H2,1H3.
What are the key properties of N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine?
N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine has a molecular weight of 180.08 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dichloroprop-2-enyl)-1-methylcyclopropan-1-amine is sourced from PubChem (CID 164655887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).