N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine

C13H19N — CID 135172820

IUPACN-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine
SMILESC#CC(=C)C/C(N=C)=C(/CC)C(C)C
InChIInChI=1S/C13H19N/c1-7-11(5)9-13(14-6)12(8-2)10(3)4/h1,10H,5-6,8-9H2,2-4H3/b13-12+
InChIKeyBBUPOQXQFGRPPN-OUKQBFOZSA-N
MW189.30 g/mol
LogP3.59
Rot. Bonds5

About N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine

N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine (PubChem CID 135172820) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine.

Molecular Properties

Compound NameN-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine
PubChem CID135172820
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine
SMILESC#CC(=C)C/C(N=C)=C(/CC)C(C)C
InChIInChI=1S/C13H19N/c1-7-11(5)9-13(14-6)12(8-2)10(3)4/h1,10H,5-6,8-9H2,2-4H3/b13-12+
InChIKeyBBUPOQXQFGRPPN-OUKQBFOZSA-N
XLogP3.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine with MolForge

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Related Compounds

(5S)-5-methyl-3-methylidenehept-1-yne
CID 15744328
(E)-3-ethyl-4-methylpent-2-en-2-ol
CID 173103704
N'-methyl-3-methylidenepent-4-ynimidamide
CID 135293111
3-fluoro-2,3-dimethyl-4-methylidenehexane
CID 143721817
N-methyl-3-methylidenepent-4-yn-1-amine
CID 156648407
3-methylidenedodec-1-yne
CID 101018984
butane;2-methylbut-1-en-3-yne
CID 145419919
1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine
CID 143891060
N-tert-butyl-2-methylpentan-3-imine
CID 12705448
5-chloro-2-methylhex-5-en-3-one
CID 13108203
(3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene
CID 169127725
N-[(Z)-2-ethyl-4-methyl-3-methylidenepent-1-enyl]methanimine
CID 145384898

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine?
The IUPAC name of N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine (CID 135172820) is N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine.
What is the SMILES notation for N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine?
The canonical SMILES for N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine is C#CC(=C)C/C(N=C)=C(/CC)C(C)C.
What is the InChIKey of N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine?
The InChIKey is BBUPOQXQFGRPPN-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H19N/c1-7-11(5)9-13(14-6)12(8-2)10(3)4/h1,10H,5-6,8-9H2,2-4H3/b13-12+.
What are the key properties of N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine?
N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine has a molecular weight of 189.30 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine is sourced from PubChem (CID 135172820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).