(2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine

C10H16N2 — CID 143949926

IUPAC(2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/CNC)N=C
InChIInChI=1S/C10H16N2/c1-5-9(2)6-7-10(12-4)8-11-3/h5-7,11H,1,4,8H2,2-3H3/b9-6-,10-7+
InChIKeyJVWUUHAFOULQSV-PCCLLEMOSA-N
MW164.25 g/mol
LogP1.92
Rot. Bonds5

About (2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine

(2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine (PubChem CID 143949926) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine
PubChem CID143949926
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/CNC)N=C
InChIInChI=1S/C10H16N2/c1-5-9(2)6-7-10(12-4)8-11-3/h5-7,11H,1,4,8H2,2-3H3/b9-6-,10-7+
InChIKeyJVWUUHAFOULQSV-PCCLLEMOSA-N
XLogP1.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.92
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 (2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine (CID 143949926) is (2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine is C=C/C(C)=C\C=C(/CNC)N=C.
What is the InChIKey of (2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine?
The InChIKey is JVWUUHAFOULQSV-PCCLLEMOSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9(2)6-7-10(12-4)8-11-3/h5-7,11H,1,4,8H2,2-3H3/b9-6-,10-7+.
What are the key properties of (2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine?
(2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,5-dimethyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine is sourced from PubChem (CID 143949926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).