3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride

C8H13ClN2 — CID 91363412

IUPAC3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride
SMILESC/C=N/C(=C/C(Cl)=N/C)CC
InChIInChI=1S/C8H13ClN2/c1-4-7(11-5-2)6-8(9)10-3/h5-6H,4H2,1-3H3/b7-6?,10-8-,11-5+
InChIKeyFFEVZMSPPSQADN-VEQFOXDGSA-N
MW172.66 g/mol
LogP2.64
Rot. Bonds3

About 3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride

3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride (PubChem CID 91363412) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride.

Molecular Properties

Compound Name3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride
PubChem CID91363412
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride
SMILESC/C=N/C(=C/C(Cl)=N/C)CC
InChIInChI=1S/C8H13ClN2/c1-4-7(11-5-2)6-8(9)10-3/h5-6H,4H2,1-3H3/b7-6?,10-8-,11-5+
InChIKeyFFEVZMSPPSQADN-VEQFOXDGSA-N
XLogP2.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

(E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine
CID 171557687
N-pent-2-en-3-ylethanimine
CID 20761973
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
2-ethylidene-N-methylpyridin-3-imine
CID 77385875
N-[(Z)-pent-2-en-3-yl]ethanimine
CID 89115805
5,7-dimethyl-2H-1,4-diazepine
CID 89171243
N-[(Z)-pent-2-en-2-yl]ethanimine
CID 89204366
N-[(Z)-pent-2-en-2-yl]prop-2-en-1-imine
CID 89294937
5-propan-2-yl-2H-1,4-diazepine
CID 91005405
N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride
CID 91495436
(Z)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
CID 117656036
(Z)-3-N-ethylidenepent-2-ene-1,3-diimine
CID 118889253

Frequently Asked Questions

What is the IUPAC name of 3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride?
The IUPAC name of 3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride (CID 91363412) is 3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride.
What is the SMILES notation for 3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride?
The canonical SMILES for 3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride is C/C=N/C(=C/C(Cl)=N/C)CC.
What is the InChIKey of 3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride?
The InChIKey is FFEVZMSPPSQADN-VEQFOXDGSA-N. The full InChI is InChI=1S/C8H13ClN2/c1-4-7(11-5-2)6-8(9)10-3/h5-6H,4H2,1-3H3/b7-6?,10-8-,11-5+.
What are the key properties of 3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride?
3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride has a molecular weight of 172.66 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride is sourced from PubChem (CID 91363412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).