(Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine

C6H13ClN2 — CID 55284891

IUPAC(Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine
SMILESCN(C)C/C(Cl)=C/CN
InChIInChI=1S/C6H13ClN2/c1-9(2)5-6(7)3-4-8/h3H,4-5,8H2,1-2H3/b6-3-
InChIKeyPCMZGWWPNBWLEB-UTCJRWHESA-N
MW148.64 g/mol
LogP0.63
Rot. Bonds3

About (Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine

(Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine (PubChem CID 55284891) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is (Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine
PubChem CID55284891
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Name(Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine
SMILESCN(C)C/C(Cl)=C/CN
InChIInChI=1S/C6H13ClN2/c1-9(2)5-6(7)3-4-8/h3H,4-5,8H2,1-2H3/b6-3-
InChIKeyPCMZGWWPNBWLEB-UTCJRWHESA-N
XLogP0.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine?
The IUPAC name of (Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine (CID 55284891) is (Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine.
What is the SMILES notation for (Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine?
The canonical SMILES for (Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine is CN(C)C/C(Cl)=C/CN.
What is the InChIKey of (Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine?
The InChIKey is PCMZGWWPNBWLEB-UTCJRWHESA-N. The full InChI is InChI=1S/C6H13ClN2/c1-9(2)5-6(7)3-4-8/h3H,4-5,8H2,1-2H3/b6-3-.
What are the key properties of (Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine?
(Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine has a molecular weight of 148.64 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine is sourced from PubChem (CID 55284891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).