(3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine

C11H20N2 — CID 137427614

IUPAC(3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine
SMILESC=NC(C)/C(=C\C=C(/C)CC)NC
InChIInChI=1S/C11H20N2/c1-6-9(2)7-8-11(13-5)10(3)12-4/h7-8,10,13H,4,6H2,1-3,5H3/b9-7+,11-8+
InChIKeyJBTWOEYLZKGQBQ-BIZFVBGRSA-N
MW180.29 g/mol
LogP2.54
Rot. Bonds5

About (3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine

(3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine (PubChem CID 137427614) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine
PubChem CID137427614
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine
SMILESC=NC(C)/C(=C\C=C(/C)CC)NC
InChIInChI=1S/C11H20N2/c1-6-9(2)7-8-11(13-5)10(3)12-4/h7-8,10,13H,4,6H2,1-3,5H3/b9-7+,11-8+
InChIKeyJBTWOEYLZKGQBQ-BIZFVBGRSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine (CID 137427614) is (3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine is C=NC(C)/C(=C\C=C(/C)CC)NC.
What is the InChIKey of (3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine?
The InChIKey is JBTWOEYLZKGQBQ-BIZFVBGRSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-9(2)7-8-11(13-5)10(3)12-4/h7-8,10,13H,4,6H2,1-3,5H3/b9-7+,11-8+.
What are the key properties of (3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine?
(3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine has a molecular weight of 180.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine is sourced from PubChem (CID 137427614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).