1,3-dichloro-N,N-diethylprop-2-en-1-amine

C7H13Cl2N — CID 174695576

IUPAC1,3-dichloro-N,N-diethylprop-2-en-1-amine
SMILESCCN(CC)C(Cl)C=CCl
InChIInChI=1S/C7H13Cl2N/c1-3-10(4-2)7(9)5-6-8/h5-7H,3-4H2,1-2H3
InChIKeyMMKPCKPJFZMSDR-UHFFFAOYSA-N
MW182.09 g/mol
LogP2.65
Rot. Bonds4

About 1,3-dichloro-N,N-diethylprop-2-en-1-amine

1,3-dichloro-N,N-diethylprop-2-en-1-amine (PubChem CID 174695576) has the molecular formula C7H13Cl2N and a molecular weight of 182.09 g/mol. Its IUPAC name is 1,3-dichloro-N,N-diethylprop-2-en-1-amine.

Molecular Properties

Compound Name1,3-dichloro-N,N-diethylprop-2-en-1-amine
PubChem CID174695576
Molecular FormulaC7H13Cl2N
Molecular Weight182.09 g/mol
Exact Mass181.04
IUPAC Name1,3-dichloro-N,N-diethylprop-2-en-1-amine
SMILESCCN(CC)C(Cl)C=CCl
InChIInChI=1S/C7H13Cl2N/c1-3-10(4-2)7(9)5-6-8/h5-7H,3-4H2,1-2H3
InChIKeyMMKPCKPJFZMSDR-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.09
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-N,N-diethylprop-2-en-1-amine?
The IUPAC name of 1,3-dichloro-N,N-diethylprop-2-en-1-amine (CID 174695576) is 1,3-dichloro-N,N-diethylprop-2-en-1-amine.
What is the SMILES notation for 1,3-dichloro-N,N-diethylprop-2-en-1-amine?
The canonical SMILES for 1,3-dichloro-N,N-diethylprop-2-en-1-amine is CCN(CC)C(Cl)C=CCl.
What is the InChIKey of 1,3-dichloro-N,N-diethylprop-2-en-1-amine?
The InChIKey is MMKPCKPJFZMSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2N/c1-3-10(4-2)7(9)5-6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 1,3-dichloro-N,N-diethylprop-2-en-1-amine?
1,3-dichloro-N,N-diethylprop-2-en-1-amine has a molecular weight of 182.09 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-N,N-diethylprop-2-en-1-amine is sourced from PubChem (CID 174695576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).