3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine

C8H15Cl2N — CID 106440049

IUPAC3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine
SMILESCC(=CCl)CN(C)C(C)CCl
InChIInChI=1S/C8H15Cl2N/c1-7(4-9)6-11(3)8(2)5-10/h4,8H,5-6H2,1-3H3
InChIKeyHRXYILHRITXGAQ-UHFFFAOYSA-N
MW196.12 g/mol
LogP2.69
Rot. Bonds4

About 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine

3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 106440049) has the molecular formula C8H15Cl2N and a molecular weight of 196.12 g/mol. Its IUPAC name is 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine
PubChem CID106440049
Molecular FormulaC8H15Cl2N
Molecular Weight196.12 g/mol
Exact Mass195.06
IUPAC Name3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine
SMILESCC(=CCl)CN(C)C(C)CCl
InChIInChI=1S/C8H15Cl2N/c1-7(4-9)6-11(3)8(2)5-10/h4,8H,5-6H2,1-3H3
InChIKeyHRXYILHRITXGAQ-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 52.69
H-Bond Donors ≤ 50
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 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine (CID 106440049) is 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine is CC(=CCl)CN(C)C(C)CCl.
What is the InChIKey of 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is HRXYILHRITXGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2N/c1-7(4-9)6-11(3)8(2)5-10/h4,8H,5-6H2,1-3H3.
What are the key properties of 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine?
3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 196.12 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 106440049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).