ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine

C19H34N2 — CID 143767816

IUPACethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine
SMILESC=C/C=C(/C)C1=C(N)CCC(CC)=C1/N=C/C.CC.CC
InChIInChI=1S/C15H22N2.2C2H6/c1-5-8-11(4)14-13(16)10-9-12(6-2)15(14)17-7-3;2*1-2/h5,7-8H,1,6,9-10,16H2,2-4H3;2*1-2H3/b11-8-,17-7+;;
InChIKeyHZIKTBUCUQQLFE-YGFOSOSRSA-N
MW290.50 g/mol
LogP5.93
Rot. Bonds4

About ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine

ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 143767816) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine
PubChem CID143767816
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Nameethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine
SMILESC=C/C=C(/C)C1=C(N)CCC(CC)=C1/N=C/C.CC.CC
InChIInChI=1S/C15H22N2.2C2H6/c1-5-8-11(4)14-13(16)10-9-12(6-2)15(14)17-7-3;2*1-2/h5,7-8H,1,6,9-10,16H2,2-4H3;2*1-2H3/b11-8-,17-7+;;
InChIKeyHZIKTBUCUQQLFE-YGFOSOSRSA-N
XLogP5.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.93
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'}

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Related Compounds

(Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine
CID 66582212
6-Pentyl-2,5-benzodiazocine
CID 67860016
N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine
CID 70417806
1-(6H-indol-7-yl)butan-2-amine
CID 91003537
N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine
CID 118518097
1-(6,7-Dihydroquinolin-8-yl)ethanamine
CID 123804240
(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
CID 126593736
4-[[[(E)-3-(4-aminocyclohexa-1,3-dien-1-yl)prop-2-enylidene]amino]methyl]-6-methylcyclohexa-1,3-dien-1-amine
CID 129254493
N-[(3Z,7Z,9Z)-5-methylidene-7-(2-methylprop-1-enyl)-4-[(E)-2-[(Z)-prop-1-enyl]hex-1-enyl]undeca-1,3,7,9-tetraen-3-yl]ethanimine
CID 134299442
(4Z,6Z)-5-cyclohexa-1,3-dien-1-yl-7-cyclopenta-1,3-dien-1-yl-7-(ethylideneamino)-2-methylhepta-2,4,6-trien-3-amine
CID 134356896
(2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine
CID 134525287
(2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine
CID 134594270

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine (CID 143767816) is ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine is C=C/C=C(/C)C1=C(N)CCC(CC)=C1/N=C/C.CC.CC.
What is the InChIKey of ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is HZIKTBUCUQQLFE-YGFOSOSRSA-N. The full InChI is InChI=1S/C15H22N2.2C2H6/c1-5-8-11(4)14-13(16)10-9-12(6-2)15(14)17-7-3;2*1-2/h5,7-8H,1,6,9-10,16H2,2-4H3;2*1-2H3/b11-8-,17-7+;;.
What are the key properties of ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine?
ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 290.50 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143767816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).