ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium

C14H22N+ — CID 123659364

IUPACethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium
SMILESC=CC=C/C(C)=[N+](\CC)C(C=CC)=CC
InChIInChI=1S/C14H22N/c1-6-10-12-13(5)15(9-4)14(8-3)11-7-2/h6-8,10-12H,1,9H2,2-5H3/q+1/b11-7?,12-10?,14-8?,15-13+
InChIKeyFPPIHZYPZBKSNH-UPLRFXNISA-N
MW204.34 g/mol
LogP3.70
Rot. Bonds5

About ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium

ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium (PubChem CID 123659364) has the molecular formula C14H22N+ and a molecular weight of 204.34 g/mol. Its IUPAC name is ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium.

Molecular Properties

Compound Nameethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium
PubChem CID123659364
Molecular FormulaC14H22N+
Molecular Weight204.34 g/mol
Exact Mass204.17
IUPAC Nameethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium
SMILESC=CC=C/C(C)=[N+](\CC)C(C=CC)=CC
InChIInChI=1S/C14H22N/c1-6-10-12-13(5)15(9-4)14(8-3)11-7-2/h6-8,10-12H,1,9H2,2-5H3/q+1/b11-7?,12-10?,14-8?,15-13+
InChIKeyFPPIHZYPZBKSNH-UPLRFXNISA-N
XLogP3.70
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[N-isopropyl-2-(isopropylamino)troponiminato]-methylzinc
CID 11543752
Lithium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
CID 135046310
Diethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 21097600
(3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine
CID 89121716
(1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine
CID 89257885
(2Z,4E)-6-imino-N,N-dimethylhepta-2,4-dien-4-amine
CID 117718958
6-methyl-1-(6-methyl-2,3-dihydropyridin-5-yl)-2H-pyridine
CID 123200056
(Z)-N-[(3Z)-hexa-1,3-dien-2-yl]hex-3-en-2-imine
CID 123288448
1,2-Dimethyl-5-methylidenepyrrol-1-ium
CID 123329878
N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine
CID 123335275
(4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine
CID 123379230
(Z)-N-[(3Z)-penta-1,3-dien-2-yl]pent-3-en-2-imine
CID 123384437

Frequently Asked Questions

What is the IUPAC name of ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium?
The IUPAC name of ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium (CID 123659364) is ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium.
What is the SMILES notation for ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium?
The canonical SMILES for ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium is C=CC=C/C(C)=[N+](\CC)C(C=CC)=CC.
What is the InChIKey of ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium?
The InChIKey is FPPIHZYPZBKSNH-UPLRFXNISA-N. The full InChI is InChI=1S/C14H22N/c1-6-10-12-13(5)15(9-4)14(8-3)11-7-2/h6-8,10-12H,1,9H2,2-5H3/q+1/b11-7?,12-10?,14-8?,15-13+.
What are the key properties of ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium?
ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium has a molecular weight of 204.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium is sourced from PubChem (CID 123659364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).