(3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine

C13H20N2 — CID 138480695

IUPAC(3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine
SMILESC=C(/C=C/C(=C)/C(C)=C/N=C/C)CNC
InChIInChI=1S/C13H20N2/c1-6-15-10-13(4)12(3)8-7-11(2)9-14-5/h6-8,10,14H,2-3,9H2,1,4-5H3/b8-7-,13-10+,15-6+
InChIKeyGLXDQNOVCFRRIR-NREHIBIGSA-N
MW204.32 g/mol
LogP2.87
Rot. Bonds6

About (3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine

(3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine (PubChem CID 138480695) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine.

Molecular Properties

Compound Name(3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine
PubChem CID138480695
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine
SMILESC=C(/C=C/C(=C)/C(C)=C/N=C/C)CNC
InChIInChI=1S/C13H20N2/c1-6-15-10-13(4)12(3)8-7-11(2)9-14-5/h6-8,10,14H,2-3,9H2,1,4-5H3/b8-7-,13-10+,15-6+
InChIKeyGLXDQNOVCFRRIR-NREHIBIGSA-N
XLogP2.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.87
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

(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
(2E,4E,7Z,9Z)-N-[(1E,5E)-3,4-difluoro-6-(methylideneamino)hexa-1,5-dienyl]-5-ethenyl-2,9-dimethyl-6-methylideneundeca-2,4,7,9-tetraen-1-amine
CID 144356857
[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
Methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium
CID 59917211
Methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium
CID 59929322
Methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 59929349
Methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59937465
N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
CID 59937466
Methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 59952362
[4,5,6,7,8,9,10-Heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium
CID 59952370

Frequently Asked Questions

What is the IUPAC name of (3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine?
The IUPAC name of (3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine (CID 138480695) is (3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine.
What is the SMILES notation for (3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine?
The canonical SMILES for (3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine is C=C(/C=C/C(=C)/C(C)=C/N=C/C)CNC.
What is the InChIKey of (3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine?
The InChIKey is GLXDQNOVCFRRIR-NREHIBIGSA-N. The full InChI is InChI=1S/C13H20N2/c1-6-15-10-13(4)12(3)8-7-11(2)9-14-5/h6-8,10,14H,2-3,9H2,1,4-5H3/b8-7-,13-10+,15-6+.
What are the key properties of (3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine?
(3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine is sourced from PubChem (CID 138480695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).