5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine

C13H19N — CID 123641515

IUPAC5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine
SMILES[H]/N=C(\C)C(=C)C(C(C)=C=C=C)C(C)C
InChIInChI=1S/C13H19N/c1-7-8-10(4)13(9(2)3)11(5)12(6)14/h9,13-14H,1,5H2,2-4,6H3/b14-12+
InChIKeyRFRQQXOTMUPEND-WYMLVPIESA-N
MW189.30 g/mol
LogP3.74
Rot. Bonds4

About 5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine

5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine (PubChem CID 123641515) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine.

Molecular Properties

Compound Name5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine
PubChem CID123641515
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine
SMILES[H]/N=C(\C)C(=C)C(C(C)=C=C=C)C(C)C
InChIInChI=1S/C13H19N/c1-7-8-10(4)13(9(2)3)11(5)12(6)14/h9,13-14H,1,5H2,2-4,6H3/b14-12+
InChIKeyRFRQQXOTMUPEND-WYMLVPIESA-N
XLogP3.74
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine with MolForge

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Related Compounds

(Z)-4,5-dimethylhept-5-en-2-imine
CID 89961034
3-(2-Methylprop-2-enyl)-4-propyloctan-2-imine
CID 90894242
(Z)-5-ethyl-3-methyloct-3-en-2-imine
CID 91076242
2,4-Dimethylpent-1-en-3-imine
CID 91148130
3,5-Dimethyl-2-methylidenecyclopentan-1-imine
CID 91175528
2,5-Dimethylhept-1-en-3-imine
CID 91222633
(E)-2,6-dimethyl-4-propan-2-ylhept-4-en-3-imine
CID 118346045
1-(2-Prop-1-en-2-ylcyclohexyl)ethanimine
CID 123166436
(6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine
CID 123201582
4-Methylhept-6-en-3-imine
CID 123204332
6-Ethyl-4,7-dimethyloct-7-en-2-imine
CID 123222470
3-Methyl-5-methylideneheptan-2-imine
CID 123288208

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine?
The IUPAC name of 5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine (CID 123641515) is 5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine.
What is the SMILES notation for 5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine?
The canonical SMILES for 5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine is [H]/N=C(\C)C(=C)C(C(C)=C=C=C)C(C)C.
What is the InChIKey of 5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine?
The InChIKey is RFRQQXOTMUPEND-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19N/c1-7-8-10(4)13(9(2)3)11(5)12(6)14/h9,13-14H,1,5H2,2-4,6H3/b14-12+.
What are the key properties of 5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine?
5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine has a molecular weight of 189.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine is sourced from PubChem (CID 123641515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).