(Z)-5-methylhept-3-en-6-yn-2-imine

C8H11N — CID 123913341

IUPAC(Z)-5-methylhept-3-en-6-yn-2-imine
SMILES[H]/N=C(C)/C=C\C(C)C#C
InChIInChI=1S/C8H11N/c1-4-7(2)5-6-8(3)9/h1,5-7,9H,2-3H3/b6-5-,9-8+
InChIKeyFXUDESRUDFPREI-UEPDSTOUSA-N
MW121.18 g/mol
LogP1.85
Rot. Bonds2

About (Z)-5-methylhept-3-en-6-yn-2-imine

(Z)-5-methylhept-3-en-6-yn-2-imine (PubChem CID 123913341) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (Z)-5-methylhept-3-en-6-yn-2-imine.

Molecular Properties

Compound Name(Z)-5-methylhept-3-en-6-yn-2-imine
PubChem CID123913341
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(Z)-5-methylhept-3-en-6-yn-2-imine
SMILES[H]/N=C(C)/C=C\C(C)C#C
InChIInChI=1S/C8H11N/c1-4-7(2)5-6-8(3)9/h1,5-7,9H,2-3H3/b6-5-,9-8+
InChIKeyFXUDESRUDFPREI-UEPDSTOUSA-N
XLogP1.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-5-ethynyl-1,1,1-trifluorohepta-3,6-dien-2-imine
CID 153635211
(3Z)-5-ethynyl-1,1,1-trifluorohepta-3,6-dien-2-imine
CID 153635212
5-Methylhex-3-en-2-imine
CID 90806182
(2Z,5Z)-7-methylocta-2,5-dien-4-imine
CID 91291747
(Z)-hept-3-en-6-yn-2-imine
CID 91453242
(Z)-5-methylhex-3-en-2-imine
CID 118335229
(3Z)-3,5-dimethylhepta-3,6-dien-2-imine
CID 123185639
(Z)-5-methylhept-3-en-2-imine
CID 123214394
2-Methylocta-1,4-dien-6-yn-3-imine
CID 123433130
(4Z)-6-methylhepta-1,4-dien-3-imine
CID 123604757
5-Ethylhept-4-en-6-yn-2-imine
CID 123648683
(3Z)-3-ethylidenehex-4-yn-2-imine
CID 123706228

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methylhept-3-en-6-yn-2-imine?
The IUPAC name of (Z)-5-methylhept-3-en-6-yn-2-imine (CID 123913341) is (Z)-5-methylhept-3-en-6-yn-2-imine.
What is the SMILES notation for (Z)-5-methylhept-3-en-6-yn-2-imine?
The canonical SMILES for (Z)-5-methylhept-3-en-6-yn-2-imine is [H]/N=C(C)/C=C\C(C)C#C.
What is the InChIKey of (Z)-5-methylhept-3-en-6-yn-2-imine?
The InChIKey is FXUDESRUDFPREI-UEPDSTOUSA-N. The full InChI is InChI=1S/C8H11N/c1-4-7(2)5-6-8(3)9/h1,5-7,9H,2-3H3/b6-5-,9-8+.
What are the key properties of (Z)-5-methylhept-3-en-6-yn-2-imine?
(Z)-5-methylhept-3-en-6-yn-2-imine has a molecular weight of 121.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methylhept-3-en-6-yn-2-imine is sourced from PubChem (CID 123913341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).