N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine

C13H19N — CID 91089297

IUPACN-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine
SMILESC=C(C=CC)C(C)=C/N=C(\C)C=CC
InChIInChI=1S/C13H19N/c1-6-8-11(3)12(4)10-14-13(5)9-7-2/h6-10H,3H2,1-2,4-5H3/b8-6?,9-7?,12-10?,14-13+
InChIKeySTBQYPQFCNVEFI-BWOKTLOGSA-N
MW189.30 g/mol
LogP4.06
Rot. Bonds4

About N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine

N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine (PubChem CID 91089297) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine.

Molecular Properties

Compound NameN-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine
PubChem CID91089297
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine
SMILESC=C(C=CC)C(C)=C/N=C(\C)C=CC
InChIInChI=1S/C13H19N/c1-6-8-11(3)12(4)10-14-13(5)9-7-2/h6-10H,3H2,1-2,4-5H3/b8-6?,9-7?,12-10?,14-13+
InChIKeySTBQYPQFCNVEFI-BWOKTLOGSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-pent-3-en-2-ylidene]formamide
CID 146239104
(Z)-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 143911032
(2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide
CID 91280064
(2Z,5E,7Z)-5,8-dimethyl-4-methylidenedeca-2,5,7-triene
CID 143769871
(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438
(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
CID 126661402
(3Z)-2-bromopenta-1,3-diene
CID 89363869
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine?
The IUPAC name of N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine (CID 91089297) is N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine.
What is the SMILES notation for N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine?
The canonical SMILES for N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine is C=C(C=CC)C(C)=C/N=C(\C)C=CC.
What is the InChIKey of N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine?
The InChIKey is STBQYPQFCNVEFI-BWOKTLOGSA-N. The full InChI is InChI=1S/C13H19N/c1-6-8-11(3)12(4)10-14-13(5)9-7-2/h6-10H,3H2,1-2,4-5H3/b8-6?,9-7?,12-10?,14-13+.
What are the key properties of N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine?
N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine has a molecular weight of 189.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine is sourced from PubChem (CID 91089297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).