2-(2,2-dichlorocyclopropyl)ethanamine

C5H9Cl2N — CID 126812348

IUPAC2-(2,2-dichlorocyclopropyl)ethanamine
SMILESNCCC1CC1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c6-5(7)3-4(5)1-2-8/h4H,1-3,8H2
InChIKeyDQYYLSNTRCSJPX-UHFFFAOYSA-N
MW154.04 g/mol
LogP1.53
Rot. Bonds2

About 2-(2,2-dichlorocyclopropyl)ethanamine

2-(2,2-dichlorocyclopropyl)ethanamine (PubChem CID 126812348) has the molecular formula C5H9Cl2N and a molecular weight of 154.04 g/mol. Its IUPAC name is 2-(2,2-dichlorocyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-dichlorocyclopropyl)ethanamine
PubChem CID126812348
Molecular FormulaC5H9Cl2N
Molecular Weight154.04 g/mol
Exact Mass153.01
IUPAC Name2-(2,2-dichlorocyclopropyl)ethanamine
SMILESNCCC1CC1(Cl)Cl
InChIInChI=1S/C5H9Cl2N/c6-5(7)3-4(5)1-2-8/h4H,1-3,8H2
InChIKeyDQYYLSNTRCSJPX-UHFFFAOYSA-N
XLogP1.53
TPSA26.02 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 ≤ 51.53
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 2-(2,2-dichlorocyclopropyl)ethanamine?
The IUPAC name of 2-(2,2-dichlorocyclopropyl)ethanamine (CID 126812348) is 2-(2,2-dichlorocyclopropyl)ethanamine.
What is the SMILES notation for 2-(2,2-dichlorocyclopropyl)ethanamine?
The canonical SMILES for 2-(2,2-dichlorocyclopropyl)ethanamine is NCCC1CC1(Cl)Cl.
What is the InChIKey of 2-(2,2-dichlorocyclopropyl)ethanamine?
The InChIKey is DQYYLSNTRCSJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2N/c6-5(7)3-4(5)1-2-8/h4H,1-3,8H2.
What are the key properties of 2-(2,2-dichlorocyclopropyl)ethanamine?
2-(2,2-dichlorocyclopropyl)ethanamine has a molecular weight of 154.04 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dichlorocyclopropyl)ethanamine is sourced from PubChem (CID 126812348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).