(4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine

C8H11ClN2 — CID 176985229

IUPAC(4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine
SMILESC=C(Cl)/C=C\C(=N\C)C(=C)N
InChIInChI=1S/C8H11ClN2/c1-6(9)4-5-8(11-3)7(2)10/h4-5H,1-2,10H2,3H3/b5-4-,11-8-
InChIKeyZMSZMXGFGWCBQX-YMVJEYMASA-N
MW170.64 g/mol
LogP1.84
Rot. Bonds3

About (4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine

(4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine (PubChem CID 176985229) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is (4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine.

Molecular Properties

Compound Name(4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine
PubChem CID176985229
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name(4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine
SMILESC=C(Cl)/C=C\C(=N\C)C(=C)N
InChIInChI=1S/C8H11ClN2/c1-6(9)4-5-8(11-3)7(2)10/h4-5H,1-2,10H2,3H3/b5-4-,11-8-
InChIKeyZMSZMXGFGWCBQX-YMVJEYMASA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-chlorohexa-1,3,5-trien-2-amine
CID 134351965
(3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene
CID 142010066
2-chloro-5-methylhepta-1,3,5-triene
CID 123971323
(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
CID 142924242
6-chlorohepta-2,4,6-trien-3-ylazanium
CID 163699739
3-methyliminobut-1-en-2-amine
CID 142085830
2,6-dichloro-5-methylidenehepta-1,3,6-triene
CID 91115524
(4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide
CID 156886780
N-(3-chlorobuta-1,3-dienyl)ethanimine
CID 123742417
(3Z)-2-chloro-5-nitrohexa-1,3,5-triene
CID 143594332
(3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine
CID 156715493
(Z)-2-methyliminopent-3-enamide
CID 126689701

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine?
The IUPAC name of (4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine (CID 176985229) is (4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine.
What is the SMILES notation for (4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine?
The canonical SMILES for (4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine is C=C(Cl)/C=C\C(=N\C)C(=C)N.
What is the InChIKey of (4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine?
The InChIKey is ZMSZMXGFGWCBQX-YMVJEYMASA-N. The full InChI is InChI=1S/C8H11ClN2/c1-6(9)4-5-8(11-3)7(2)10/h4-5H,1-2,10H2,3H3/b5-4-,11-8-.
What are the key properties of (4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine?
(4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine has a molecular weight of 170.64 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-chloro-3-methyliminohepta-1,4,6-trien-2-amine is sourced from PubChem (CID 176985229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).