(3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine

C12H22N2 — CID 134472487

IUPAC(3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine
SMILESC=C(C)C(/C=C(/CC)NCC)=N\CC
InChIInChI=1S/C12H22N2/c1-6-11(13-7-2)9-12(10(4)5)14-8-3/h9,13H,4,6-8H2,1-3,5H3/b11-9-,14-12-
InChIKeyACUKREFEWJZLBP-YJKQCFOZSA-N
MW194.32 g/mol
LogP2.93
Rot. Bonds6

About (3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine

(3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine (PubChem CID 134472487) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine.

Molecular Properties

Compound Name(3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine
PubChem CID134472487
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine
SMILESC=C(C)C(/C=C(/CC)NCC)=N\CC
InChIInChI=1S/C12H22N2/c1-6-11(13-7-2)9-12(10(4)5)14-8-3/h9,13H,4,6-8H2,1-3,5H3/b11-9-,14-12-
InChIKeyACUKREFEWJZLBP-YJKQCFOZSA-N
XLogP2.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine?
The IUPAC name of (3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine (CID 134472487) is (3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine.
What is the SMILES notation for (3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine?
The canonical SMILES for (3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine is C=C(C)C(/C=C(/CC)NCC)=N\CC.
What is the InChIKey of (3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine?
The InChIKey is ACUKREFEWJZLBP-YJKQCFOZSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-11(13-7-2)9-12(10(4)5)14-8-3/h9,13H,4,6-8H2,1-3,5H3/b11-9-,14-12-.
What are the key properties of (3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine?
(3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine has a molecular weight of 194.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine is sourced from PubChem (CID 134472487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).