(4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine

C11H18N2 — CID 147333916

IUPAC(4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine
SMILESC=NN/C(C=C(C)C)=C(C)/C=C\C
InChIInChI=1S/C11H18N2/c1-6-7-10(4)11(13-12-5)8-9(2)3/h6-8,13H,5H2,1-4H3/b7-6-,11-10+
InChIKeyDCEIVPNOJFDXBZ-JFEAUALZSA-N
MW178.28 g/mol
LogP3.01
Rot. Bonds4

About (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine

(4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine (PubChem CID 147333916) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine.

Molecular Properties

Compound Name(4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine
PubChem CID147333916
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine
SMILESC=NN/C(C=C(C)C)=C(C)/C=C\C
InChIInChI=1S/C11H18N2/c1-6-7-10(4)11(13-12-5)8-9(2)3/h6-8,13H,5H2,1-4H3/b7-6-,11-10+
InChIKeyDCEIVPNOJFDXBZ-JFEAUALZSA-N
XLogP3.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
CID 88960569
(3Z)-N-[(E)-[(Z)-2-methylidenepent-3-enylidene]amino]penta-1,3-dien-2-amine
CID 89484719
(2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine
CID 118550351
(4Z)-2-methyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine
CID 118900442
(2E,4Z)-N-[(Z)-ethylideneamino]-4,5-dimethylhepta-2,4,6-trien-2-amine
CID 124099628
(2E,4Z)-N-[(Z)-ethylideneamino]-4-methylhepta-2,4,6-trien-2-amine
CID 124099691
(3Z,5Z)-N-[(Z)-ethylideneamino]-4,5-dimethylhepta-1,3,5-trien-2-amine
CID 124099712
(2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine
CID 126495685
(4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine
CID 130320073
(4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine
CID 138656040
(3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane
CID 143256208
ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine
CID 143256655

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine?
The IUPAC name of (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine (CID 147333916) is (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine.
What is the SMILES notation for (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine?
The canonical SMILES for (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine is C=NN/C(C=C(C)C)=C(C)/C=C\C.
What is the InChIKey of (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine?
The InChIKey is DCEIVPNOJFDXBZ-JFEAUALZSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-7-10(4)11(13-12-5)8-9(2)3/h6-8,13H,5H2,1-4H3/b7-6-,11-10+.
What are the key properties of (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine?
(4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine has a molecular weight of 178.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine is sourced from PubChem (CID 147333916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).