(2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine

C19H30N2 — CID 177354537

IUPAC(2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine
SMILESC=C(/C=C(\C)C(C)C)C(=C\C=N\C)/C(=C/C=C(\C)N)CC
InChIInChI=1S/C19H30N2/c1-8-18(10-9-17(6)20)19(11-12-21-7)16(5)13-15(4)14(2)3/h9-14H,5,8,20H2,1-4,6-7H3/b15-13+,17-9+,18-10+,19-11+,21-12+
InChIKeyQOQKZIFTWIMFNH-ZUGOHBCGSA-N
MW286.46 g/mol
LogP4.97
Rot. Bonds7

About (2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine

(2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine (PubChem CID 177354537) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine.

Molecular Properties

Compound Name(2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine
PubChem CID177354537
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name(2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine
SMILESC=C(/C=C(\C)C(C)C)C(=C\C=N\C)/C(=C/C=C(\C)N)CC
InChIInChI=1S/C19H30N2/c1-8-18(10-9-17(6)20)19(11-12-21-7)16(5)13-15(4)14(2)3/h9-14H,5,8,20H2,1-4,6-7H3/b15-13+,17-9+,18-10+,19-11+,21-12+
InChIKeyQOQKZIFTWIMFNH-ZUGOHBCGSA-N
XLogP4.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3E)-1-[(4Z)-2-methyl-4-[2-[(Z)-prop-1-enyl]iminoethylidene]cyclobutyl]penta-1,3-dien-3-amine
CID 89011076
(2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine
CID 123522463
3-[[(Z)-but-2-enylidene]amino]-6-methylcyclohexa-1,3-dien-1-amine
CID 129060085
4-[[[(E)-3-(4-aminocyclohexa-1,3-dien-1-yl)prop-2-enylidene]amino]methyl]-6-methylcyclohexa-1,3-dien-1-amine
CID 129254493
(4Z,6Z)-5-cyclohexa-1,3-dien-1-yl-7-cyclopenta-1,3-dien-1-yl-7-(ethylideneamino)-2-methylhepta-2,4,6-trien-3-amine
CID 134356896
(2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine
CID 134525597
(3Z,5E,6Z)-6-[[(2Z)-2-(2,4-dimethylcyclobuta-1,3-dien-1-yl)-4-methylpenta-2,4-dienylidene]amino]-5-ethylideneocta-1,3,6-trien-2-amine
CID 135294800
(2E,4E)-2,5-dimethyl-N,N'-bis[(2E,4E)-5-methylnona-2,4-dien-2-yl]hexa-2,4-diene-1,6-diimine
CID 137504658
(2Z)-N-[(E)-but-2-en-2-yl]-2-ethylidenehexan-1-imine;ethanamine;ethane;2-methylpentane
CID 141876627
ethanamine;4-methylheptane;(E)-3-methyl-N-prop-1-en-2-ylhex-2-en-1-imine
CID 141877387
butane;ethanamine;ethane;(2Z)-2-ethylidene-N-prop-1-en-2-ylhexan-1-imine
CID 141939674
N-[(4Z,6Z)-4-ethyl-6,8-dimethyl-7-[(methylideneamino)methyl]nona-1,4,6-trien-2-yl]ethanimine
CID 142428648

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine?
The IUPAC name of (2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine (CID 177354537) is (2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine.
What is the SMILES notation for (2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine?
The canonical SMILES for (2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine is C=C(/C=C(\C)C(C)C)C(=C\C=N\C)/C(=C/C=C(\C)N)CC.
What is the InChIKey of (2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine?
The InChIKey is QOQKZIFTWIMFNH-ZUGOHBCGSA-N. The full InChI is InChI=1S/C19H30N2/c1-8-18(10-9-17(6)20)19(11-12-21-7)16(5)13-15(4)14(2)3/h9-14H,5,8,20H2,1-4,6-7H3/b15-13+,17-9+,18-10+,19-11+,21-12+.
What are the key properties of (2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine?
(2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine has a molecular weight of 286.46 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8E)-5-ethyl-9,10-dimethyl-7-methylidene-6-(2-methyliminoethylidene)undeca-2,4,8-trien-2-amine is sourced from PubChem (CID 177354537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).