(2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine

C12H22N2 — CID 167219855

IUPAC(2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine
SMILESC/C=C\C(CC)=C(CNCC)/N=C/C
InChIInChI=1S/C12H22N2/c1-5-9-11(6-2)12(14-8-4)10-13-7-3/h5,8-9,13H,6-7,10H2,1-4H3/b9-5-,12-11-,14-8+
InChIKeyBYHTWDLBDFOZHB-ZITAIBJASA-N
MW194.32 g/mol
LogP2.93
Rot. Bonds6

About (2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine

(2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine (PubChem CID 167219855) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine
PubChem CID167219855
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine
SMILESC/C=C\C(CC)=C(CNCC)/N=C/C
InChIInChI=1S/C12H22N2/c1-5-9-11(6-2)12(14-8-4)10-13-7-3/h5,8-9,13H,6-7,10H2,1-4H3/b9-5-,12-11-,14-8+
InChIKeyBYHTWDLBDFOZHB-ZITAIBJASA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine with MolForge

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Related Compounds

(E)-N,2-diethylbut-2-en-1-amine
CID 144565288
5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene
CID 123219391
(2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine
CID 155442209
N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine
CID 89207277
4-ethylhepta-3,5-dien-3-ylphosphonic acid
CID 90935578
oct-6-ene-3,5-dione
CID 54438744
ethane;(2E,4Z)-2-ethenyl-3-ethyl-N-(oxomethyl)hexa-2,4-dienamide;uranium
CID 166091369
(E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine
CID 134570205
(Z)-N-ethyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine
CID 155175001
ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol
CID 143707502
ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 143972745
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine (CID 167219855) is (2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine is C/C=C\C(CC)=C(CNCC)/N=C/C.
What is the InChIKey of (2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine?
The InChIKey is BYHTWDLBDFOZHB-ZITAIBJASA-N. The full InChI is InChI=1S/C12H22N2/c1-5-9-11(6-2)12(14-8-4)10-13-7-3/h5,8-9,13H,6-7,10H2,1-4H3/b9-5-,12-11-,14-8+.
What are the key properties of (2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine?
(2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-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 (2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine is sourced from PubChem (CID 167219855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).