(2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine

C12H20N2 — CID 142860650

IUPAC(2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine
SMILES[H]/N=C(C)/C(/C=C\C(=C\C)NCC)=C/C
InChIInChI=1S/C12H20N2/c1-5-11(10(4)13)8-9-12(6-2)14-7-3/h5-6,8-9,13-14H,7H2,1-4H3/b9-8-,11-5+,12-6-,13-10+
InChIKeyFRKMCFMQMRZVJE-UGTBROSZSA-N
MW192.31 g/mol
LogP3.04
Rot. Bonds5

About (2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine

(2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine (PubChem CID 142860650) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine
PubChem CID142860650
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine
SMILES[H]/N=C(C)/C(/C=C\C(=C\C)NCC)=C/C
InChIInChI=1S/C12H20N2/c1-5-11(10(4)13)8-9-12(6-2)14-7-3/h5-6,8-9,13-14H,7H2,1-4H3/b9-8-,11-5+,12-6-,13-10+
InChIKeyFRKMCFMQMRZVJE-UGTBROSZSA-N
XLogP3.04
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
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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Related Compounds

(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
CID 121321882
(1E,3E)-N-[3-[[(E)-4-ethenylhex-4-en-3-ylidene]amino]prop-1-en-2-yl]-4-fluorohexa-1,3,5-trien-1-amine
CID 135161473
(2E)-N-[(4E)-5-[[(3E)-3,5-dimethylhexa-3,5-dien-2-ylidene]amino]-4-methylpenta-1,4-dien-2-yl]-2-ethenyl-4-fluoropenta-2,4-dien-1-amine
CID 137465231
(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
CID 137465238
(4E,6E)-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-4,7-dimethyl-8-methyliminonona-1,4,6-trien-2-amine
CID 137465240
(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine
CID 143253059
(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine
CID 25137124
Hexahydroazonino[5,6-b]indole
CID 129799442
N-methyl-2-[(2Z)-2-(3-methylbut-2-enylidene)indol-1-ium-3-yl]ethanamine
CID 135020789
(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium
CID 135039127
N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
CID 139247713
5-(difluoromethyl)-N-[(5Z)-7-methyliminonona-2,5-dien-4-yl]cyclohepta-1,3,5-trien-1-amine
CID 143431231

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine?
The IUPAC name of (2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine (CID 142860650) is (2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine.
What is the SMILES notation for (2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine?
The canonical SMILES for (2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine is [H]/N=C(C)/C(/C=C\C(=C\C)NCC)=C/C.
What is the InChIKey of (2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine?
The InChIKey is FRKMCFMQMRZVJE-UGTBROSZSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-11(10(4)13)8-9-12(6-2)14-7-3/h5-6,8-9,13-14H,7H2,1-4H3/b9-8-,11-5+,12-6-,13-10+.
What are the key properties of (2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine?
(2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine has a molecular weight of 192.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E)-6-ethanimidoyl-N-ethylocta-2,4,6-trien-3-amine is sourced from PubChem (CID 142860650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).