(3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine

C11H20N2 — CID 135270899

IUPAC(3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine
SMILESC=NC(=C)/C(=C\CCC)N(C)CC
InChIInChI=1S/C11H20N2/c1-6-8-9-11(10(3)12-4)13(5)7-2/h9H,3-4,6-8H2,1-2,5H3/b11-9+
InChIKeyHIOMNIRUBTXOKJ-PKNBQFBNSA-N
MW180.29 g/mol
LogP2.84
Rot. Bonds6

About (3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine

(3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine (PubChem CID 135270899) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine
PubChem CID135270899
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine
SMILESC=NC(=C)/C(=C\CCC)N(C)CC
InChIInChI=1S/C11H20N2/c1-6-8-9-11(10(3)12-4)13(5)7-2/h9H,3-4,6-8H2,1-2,5H3/b11-9+
InChIKeyHIOMNIRUBTXOKJ-PKNBQFBNSA-N
XLogP2.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
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)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine?
The IUPAC name of (3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine (CID 135270899) is (3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine?
The canonical SMILES for (3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine is C=NC(=C)/C(=C\CCC)N(C)CC.
What is the InChIKey of (3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine?
The InChIKey is HIOMNIRUBTXOKJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-8-9-11(10(3)12-4)13(5)7-2/h9H,3-4,6-8H2,1-2,5H3/b11-9+.
What are the key properties of (3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine?
(3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine has a molecular weight of 180.29 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine is sourced from PubChem (CID 135270899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).