(2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine

C14H19N — CID 143109442

IUPAC(2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine
SMILESC=C/C=C\C(=C)C(=C)/C(=C\C=C)CNC
InChIInChI=1S/C14H19N/c1-6-8-10-12(3)13(4)14(9-7-2)11-15-5/h6-10,15H,1-4,11H2,5H3/b10-8-,14-9-
InChIKeyPSIBWPQFAYDSPP-UDUICCPOSA-N
MW201.31 g/mol
LogP3.17
Rot. Bonds7

About (2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine

(2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine (PubChem CID 143109442) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine.

Molecular Properties

Compound Name(2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine
PubChem CID143109442
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine
SMILESC=C/C=C\C(=C)C(=C)/C(=C\C=C)CNC
InChIInChI=1S/C14H19N/c1-6-8-10-12(3)13(4)14(9-7-2)11-15-5/h6-10,15H,1-4,11H2,5H3/b10-8-,14-9-
InChIKeyPSIBWPQFAYDSPP-UDUICCPOSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine with MolForge

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Related Compounds

(2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine
CID 143114210
ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane
CID 143388689
(3Z)-3-[(E)-1-(methylamino)but-2-en-2-yl]hexa-3,5-dienal
CID 142384554
(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene
CID 143006429
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
CID 142087922
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
(2E,4Z)-N-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142839677
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine?
The IUPAC name of (2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine (CID 143109442) is (2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine.
What is the SMILES notation for (2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine?
The canonical SMILES for (2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine is C=C/C=C\C(=C)C(=C)/C(=C\C=C)CNC.
What is the InChIKey of (2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine?
The InChIKey is PSIBWPQFAYDSPP-UDUICCPOSA-N. The full InChI is InChI=1S/C14H19N/c1-6-8-10-12(3)13(4)14(9-7-2)11-15-5/h6-10,15H,1-4,11H2,5H3/b10-8-,14-9-.
What are the key properties of (2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine?
(2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine is sourced from PubChem (CID 143109442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).