N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride

C8H13ClN2 — CID 123915647

IUPACN-methyl-3-(methylideneamino)hex-2-enimidoyl chloride
SMILESC=NC(=C/C(Cl)=N/C)CCC
InChIInChI=1S/C8H13ClN2/c1-4-5-7(10-2)6-8(9)11-3/h6H,2,4-5H2,1,3H3/b7-6?,11-8-
InChIKeyKZUBLFYYPGZACX-DSCYDKJTSA-N
MW172.66 g/mol
LogP2.64
Rot. Bonds4

About N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride

N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride (PubChem CID 123915647) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride.

Molecular Properties

Compound NameN-methyl-3-(methylideneamino)hex-2-enimidoyl chloride
PubChem CID123915647
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC NameN-methyl-3-(methylideneamino)hex-2-enimidoyl chloride
SMILESC=NC(=C/C(Cl)=N/C)CCC
InChIInChI=1S/C8H13ClN2/c1-4-5-7(10-2)6-8(9)11-3/h6H,2,4-5H2,1,3H3/b7-6?,11-8-
InChIKeyKZUBLFYYPGZACX-DSCYDKJTSA-N
XLogP2.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride
CID 91363412
N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride
CID 91495436
(E)-3-(methylideneamino)pent-2-enimidoyl chloride
CID 156242862
N-[(3E,5E)-6-chloro-6-(methylideneamino)hexa-3,5-dien-3-yl]propan-2-imine
CID 166669852
N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride
CID 167117244
(Z)-1-N-(chloromethyl)-4-methyl-3-N-methylidenehex-2-ene-1,3-diimine
CID 174030403
(Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine
CID 174264899
(E)-2-chloro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
CID 168972300
(E)-3-chloro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
CID 168972432

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride?
The IUPAC name of N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride (CID 123915647) is N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride.
What is the SMILES notation for N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride?
The canonical SMILES for N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride is C=NC(=C/C(Cl)=N/C)CCC.
What is the InChIKey of N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride?
The InChIKey is KZUBLFYYPGZACX-DSCYDKJTSA-N. The full InChI is InChI=1S/C8H13ClN2/c1-4-5-7(10-2)6-8(9)11-3/h6H,2,4-5H2,1,3H3/b7-6?,11-8-.
What are the key properties of N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride?
N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride has a molecular weight of 172.66 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride is sourced from PubChem (CID 123915647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).