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

C15H22N2 — CID 143767817

IUPAC4-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
InChIInChI=1S/C15H22N2/c1-5-8-11(4)14-13(16)10-9-12(6-2)15(14)17-7-3/h5,7-8H,1,6,9-10,16H2,2-4H3/b11-8-,17-7+
InChIKeyFCEZCLZXIAXPSE-IBELUEPNSA-N
MW230.35 g/mol
LogP3.88
Rot. Bonds4

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

4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 143767817) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine
PubChem CID143767817
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-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
InChIInChI=1S/C15H22N2/c1-5-8-11(4)14-13(16)10-9-12(6-2)15(14)17-7-3/h5,7-8H,1,6,9-10,16H2,2-4H3/b11-8-,17-7+
InChIKeyFCEZCLZXIAXPSE-IBELUEPNSA-N
XLogP3.88
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.88
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
5-tert-butyl-4H-indol-6-amine
CID 67269998
6-Pentyl-2,5-benzodiazocine
CID 67860016
N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine
CID 70417806
(5Z,6E)-6-ethylidene-5-prop-2-enylidene-3,4-dihydropyridine
CID 89200020
(2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine
CID 89473884
[3-(3-Methylbut-2-enylidene)-2-propylidene-4-pyridinyl]methanamine
CID 90974862
1-(6H-indol-7-yl)butan-2-amine
CID 91003537
2-(6H-indol-7-yl)ethanamine
CID 91040299
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-3,4-dihydropyridine
CID 117906908
4-(2,3-Dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine
CID 118190275
(3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine
CID 118213495

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine (CID 143767817) is 4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 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.
What is the InChIKey of 4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is FCEZCLZXIAXPSE-IBELUEPNSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-8-11(4)14-13(16)10-9-12(6-2)15(14)17-7-3/h5,7-8H,1,6,9-10,16H2,2-4H3/b11-8-,17-7+.
What are the key properties of 4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine?
4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143767817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).