1-(2,2-dichlorocyclopropyl)-N-methylmethanamine

C5H9Cl2N — CID 60695413

IUPAC1-(2,2-dichlorocyclopropyl)-N-methylmethanamine
SMILESCNCC1CC1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c1-8-3-4-2-5(4,6)7/h4,8H,2-3H2,1H3
InChIKeyXDZQBLVOIHFGTL-UHFFFAOYSA-N
MW154.04 g/mol
LogP1.40
Rot. Bonds2

About 1-(2,2-dichlorocyclopropyl)-N-methylmethanamine

1-(2,2-dichlorocyclopropyl)-N-methylmethanamine (PubChem CID 60695413) has the molecular formula C5H9Cl2N and a molecular weight of 154.04 g/mol. Its IUPAC name is 1-(2,2-dichlorocyclopropyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,2-dichlorocyclopropyl)-N-methylmethanamine
PubChem CID60695413
Molecular FormulaC5H9Cl2N
Molecular Weight154.04 g/mol
Exact Mass153.01
IUPAC Name1-(2,2-dichlorocyclopropyl)-N-methylmethanamine
SMILESCNCC1CC1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c1-8-3-4-2-5(4,6)7/h4,8H,2-3H2,1H3
InChIKeyXDZQBLVOIHFGTL-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.04
LogP ≤ 51.40
H-Bond Donors ≤ 51
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 1-(2,2-dichlorocyclopropyl)-N-methylmethanamine?
The IUPAC name of 1-(2,2-dichlorocyclopropyl)-N-methylmethanamine (CID 60695413) is 1-(2,2-dichlorocyclopropyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,2-dichlorocyclopropyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,2-dichlorocyclopropyl)-N-methylmethanamine is CNCC1CC1(Cl)Cl.
What is the InChIKey of 1-(2,2-dichlorocyclopropyl)-N-methylmethanamine?
The InChIKey is XDZQBLVOIHFGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2N/c1-8-3-4-2-5(4,6)7/h4,8H,2-3H2,1H3.
What are the key properties of 1-(2,2-dichlorocyclopropyl)-N-methylmethanamine?
1-(2,2-dichlorocyclopropyl)-N-methylmethanamine has a molecular weight of 154.04 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichlorocyclopropyl)-N-methylmethanamine is sourced from PubChem (CID 60695413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).