N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride

C6H13Cl2N — CID 122164038

IUPACN-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride
SMILESC=CCN(C)CCCl.Cl
InChIInChI=1S/C6H12ClN.ClH/c1-3-5-8(2)6-4-7;/h3H,1,4-6H2,2H3;1H
InChIKeySJHUEUXZLRMCRJ-UHFFFAOYSA-N
MW170.08 g/mol
LogP1.76
Rot. Bonds4

About N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride

N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride (PubChem CID 122164038) has the molecular formula C6H13Cl2N and a molecular weight of 170.08 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride
PubChem CID122164038
Molecular FormulaC6H13Cl2N
Molecular Weight170.08 g/mol
Exact Mass169.04
IUPAC NameN-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride
SMILESC=CCN(C)CCCl.Cl
InChIInChI=1S/C6H12ClN.ClH/c1-3-5-8(2)6-4-7;/h3H,1,4-6H2,2H3;1H
InChIKeySJHUEUXZLRMCRJ-UHFFFAOYSA-N
XLogP1.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride?
The IUPAC name of N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride (CID 122164038) is N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride is C=CCN(C)CCCl.Cl.
What is the InChIKey of N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride?
The InChIKey is SJHUEUXZLRMCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClN.ClH/c1-3-5-8(2)6-4-7;/h3H,1,4-6H2,2H3;1H.
What are the key properties of N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride?
N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride has a molecular weight of 170.08 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 122164038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).