(3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine

C13H20N2 — CID 130215574

IUPAC(3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C(C)C)N(/N=C/C)C(=C)C
InChIInChI=1S/C13H20N2/c1-7-13(10-9-11(3)4)15(12(5)6)14-8-2/h7-10H,1,5H2,2-4,6H3/b13-10+,14-8+
InChIKeyJSDITJWQJNEDMZ-KGZUQBBUSA-N
MW204.32 g/mol
LogP3.86
Rot. Bonds5

About (3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine

(3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine (PubChem CID 130215574) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
PubChem CID130215574
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C(C)C)N(/N=C/C)C(=C)C
InChIInChI=1S/C13H20N2/c1-7-13(10-9-11(3)4)15(12(5)6)14-8-2/h7-10H,1,5H2,2-4,6H3/b13-10+,14-8+
InChIKeyJSDITJWQJNEDMZ-KGZUQBBUSA-N
XLogP3.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine (CID 130215574) is (3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine is C=C/C(=C\C=C(C)C)N(/N=C/C)C(=C)C.
What is the InChIKey of (3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine?
The InChIKey is JSDITJWQJNEDMZ-KGZUQBBUSA-N. The full InChI is InChI=1S/C13H20N2/c1-7-13(10-9-11(3)4)15(12(5)6)14-8-2/h7-10H,1,5H2,2-4,6H3/b13-10+,14-8+.
What are the key properties of (3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine?
(3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine has a molecular weight of 204.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[(E)-ethylideneamino]-6-methyl-N-prop-1-en-2-ylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 130215574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).