hex-3-en-2-ylidene(methylidene)azanium

C7H12N+ — CID 123842188

IUPAChex-3-en-2-ylidene(methylidene)azanium
SMILESC=[N+]=C(C)C=CCC
InChIInChI=1S/C7H12N/c1-4-5-6-7(2)8-3/h5-6H,3-4H2,1-2H3/q+1
InChIKeyIILYEHAFAPJXCX-UHFFFAOYSA-N
MW110.18 g/mol
LogP1.18
Rot. Bonds2

About hex-3-en-2-ylidene(methylidene)azanium

hex-3-en-2-ylidene(methylidene)azanium (PubChem CID 123842188) has the molecular formula C7H12N+ and a molecular weight of 110.18 g/mol. Its IUPAC name is hex-3-en-2-ylidene(methylidene)azanium.

Molecular Properties

Compound Namehex-3-en-2-ylidene(methylidene)azanium
PubChem CID123842188
Molecular FormulaC7H12N+
Molecular Weight110.18 g/mol
Exact Mass110.10
IUPAC Namehex-3-en-2-ylidene(methylidene)azanium
SMILESC=[N+]=C(C)C=CCC
InChIInChI=1S/C7H12N/c1-4-5-6-7(2)8-3/h5-6H,3-4H2,1-2H3/q+1
InChIKeyIILYEHAFAPJXCX-UHFFFAOYSA-N
XLogP1.18
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
CID 88993026
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
sodium pent-2-enoate
CID 141188038
pentasodium;pentakis((E)-pent-2-enoate)
CID 91885279
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
(Z)-2-oxohex-3-enoate
CID 25244119
ethane;(4Z)-2-methylhepta-2,4-dien-3-amine
CID 145261279
ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene
CID 143724412
2-butan-2-ylidenehex-3-enoic acid
CID 123237351

Frequently Asked Questions

What is the IUPAC name of hex-3-en-2-ylidene(methylidene)azanium?
The IUPAC name of hex-3-en-2-ylidene(methylidene)azanium (CID 123842188) is hex-3-en-2-ylidene(methylidene)azanium.
What is the SMILES notation for hex-3-en-2-ylidene(methylidene)azanium?
The canonical SMILES for hex-3-en-2-ylidene(methylidene)azanium is C=[N+]=C(C)C=CCC.
What is the InChIKey of hex-3-en-2-ylidene(methylidene)azanium?
The InChIKey is IILYEHAFAPJXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N/c1-4-5-6-7(2)8-3/h5-6H,3-4H2,1-2H3/q+1.
What are the key properties of hex-3-en-2-ylidene(methylidene)azanium?
hex-3-en-2-ylidene(methylidene)azanium has a molecular weight of 110.18 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-en-2-ylidene(methylidene)azanium is sourced from PubChem (CID 123842188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).