(2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine

C13H20N2 — CID 167181335

IUPAC(2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine
SMILESC=C(/C=C(C)\C(N)=C/C)C(=C/C)/C=N/C
InChIInChI=1S/C13H20N2/c1-6-12(9-15-5)10(3)8-11(4)13(14)7-2/h6-9H,3,14H2,1-2,4-5H3/b11-8-,12-6+,13-7+,15-9+
InChIKeySOFWRIXILMOWMS-OZZYCSEHSA-N
MW204.32 g/mol
LogP3.00
Rot. Bonds4

About (2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine

(2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine (PubChem CID 167181335) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine
PubChem CID167181335
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine
SMILESC=C(/C=C(C)\C(N)=C/C)C(=C/C)/C=N/C
InChIInChI=1S/C13H20N2/c1-6-12(9-15-5)10(3)8-11(4)13(14)7-2/h6-9H,3,14H2,1-2,4-5H3/b11-8-,12-6+,13-7+,15-9+
InChIKeySOFWRIXILMOWMS-OZZYCSEHSA-N
XLogP3.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.00
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

5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine
CID 123938860
(Z)-4-[(3E,4E,6Z)-3-ethylidene-6-methyl-4-prop-1-en-2-ylocta-1,4,6-trien-2-yl]imino-3-fluorobut-2-en-2-amine
CID 135244533
(3Z)-3,4-difluoro-5-methylidene-6-(2-methylprop-2-enylideneamino)hepta-1,3,6-trien-2-amine
CID 142056167
(2E)-2-[(1Z)-1-(ethylideneamino)buta-1,3-dienyl]-3-(fluoromethyl)hexa-2,5-dienimidoyl fluoride
CID 167120260
6-Fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine
CID 172601501
1-(3-Fluoroprop-1-en-2-ylimino)-4-methylhexa-2,4-diene-2,5-diamine
CID 173718866
(3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine
CID 174337087
(Z)-2-[(E)-2-(buta-1,3-dien-2-yliminomethyl)-3,3,3-trifluoroprop-1-enyl]but-2-ene-1,3-diamine
CID 168203154
(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine
CID 177018825
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
(3Z)-3-(ethenyliminomethyl)hexa-1,3-dien-2-amine;yttrium
CID 60125184
1-[(2S)-2,3-dimethyl-3,6-dihydro-2H-azepin-5-yl]ethenamine
CID 69915408

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine?
The IUPAC name of (2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine (CID 167181335) is (2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine.
What is the SMILES notation for (2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine?
The canonical SMILES for (2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine is C=C(/C=C(C)\C(N)=C/C)C(=C/C)/C=N/C.
What is the InChIKey of (2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine?
The InChIKey is SOFWRIXILMOWMS-OZZYCSEHSA-N. The full InChI is InChI=1S/C13H20N2/c1-6-12(9-15-5)10(3)8-11(4)13(14)7-2/h6-9H,3,14H2,1-2,4-5H3/b11-8-,12-6+,13-7+,15-9+.
What are the key properties of (2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine?
(2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine has a molecular weight of 204.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,7Z)-4-methyl-6-methylidene-7-(methyliminomethyl)nona-2,4,7-trien-3-amine is sourced from PubChem (CID 167181335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).