(E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine

C5H11ClN2 — CID 130197807

IUPAC(E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine
SMILESCN/C=C(\C)NCCl
InChIInChI=1S/C5H11ClN2/c1-5(3-7-2)8-4-6/h3,7-8H,4H2,1-2H3/b5-3+
InChIKeyHEKCZRQNANEYIF-HWKANZROSA-N
MW134.61 g/mol
LogP0.85
Rot. Bonds3

About (E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine

(E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine (PubChem CID 130197807) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is (E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine
PubChem CID130197807
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name(E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine
SMILESCN/C=C(\C)NCCl
InChIInChI=1S/C5H11ClN2/c1-5(3-7-2)8-4-6/h3,7-8H,4H2,1-2H3/b5-3+
InChIKeyHEKCZRQNANEYIF-HWKANZROSA-N
XLogP0.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

ethane;(Z)-2-N-ethyl-1-N-methylprop-1-ene-1,2-diamine
CID 142848070
3-chloroprop-1-ene;N-methylmethanamine
CID 19802160
chloroethane;N-methylmethanamine;hydrochloride
CID 22017076
ethane-1,2-diol;N-methylethenamine
CID 88730727
(E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine
CID 130458461
(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine
CID 118687373
[[(E)-but-2-en-2-yl]amino]methanol
CID 130429621
(E)-N-ethylbut-2-en-2-amine
CID 18734703
(2E)-2-(methylaminomethylidene)pentan-1-ol
CID 170108707
bis(chloromethylcarbamoyloxy)phosphanyl N-(chloromethyl)carbamate
CID 163407258
1-chloro-2-methylpropane;N-methylmethanamine
CID 175109198
2-chloro-N-(2-methylprop-1-enyl)acetamide
CID 55287627

Frequently Asked Questions

What is the IUPAC name of (E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine?
The IUPAC name of (E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine (CID 130197807) is (E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine is CN/C=C(\C)NCCl.
What is the InChIKey of (E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine?
The InChIKey is HEKCZRQNANEYIF-HWKANZROSA-N. The full InChI is InChI=1S/C5H11ClN2/c1-5(3-7-2)8-4-6/h3,7-8H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine?
(E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine has a molecular weight of 134.61 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-(chloromethyl)-1-N-methylprop-1-ene-1,2-diamine is sourced from PubChem (CID 130197807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).