N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine

C6H9Cl2NO — CID 57060421

IUPACN-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine
SMILESCC=CNOCC=C(Cl)Cl
InChIInChI=1S/C6H9Cl2NO/c1-2-4-9-10-5-3-6(7)8/h2-4,9H,5H2,1H3
InChIKeyOGNQICZUCCKDNY-UHFFFAOYSA-N
MW182.05 g/mol
LogP2.36
Rot. Bonds4

About N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine

N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine (PubChem CID 57060421) has the molecular formula C6H9Cl2NO and a molecular weight of 182.05 g/mol. Its IUPAC name is N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine.

Molecular Properties

Compound NameN-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine
PubChem CID57060421
Molecular FormulaC6H9Cl2NO
Molecular Weight182.05 g/mol
Exact Mass181.01
IUPAC NameN-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine
SMILESCC=CNOCC=C(Cl)Cl
InChIInChI=1S/C6H9Cl2NO/c1-2-4-9-10-5-3-6(7)8/h2-4,9H,5H2,1H3
InChIKeyOGNQICZUCCKDNY-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine?
The IUPAC name of N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine (CID 57060421) is N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine.
What is the SMILES notation for N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine?
The canonical SMILES for N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine is CC=CNOCC=C(Cl)Cl.
What is the InChIKey of N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine?
The InChIKey is OGNQICZUCCKDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2NO/c1-2-4-9-10-5-3-6(7)8/h2-4,9H,5H2,1H3.
What are the key properties of N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine?
N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine has a molecular weight of 182.05 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine is sourced from PubChem (CID 57060421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).