3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium

C12H24N+ — CID 91569156

IUPAC3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium
SMILESCC=CC(C(C)=[N+](C)C)C(C)CC
InChIInChI=1S/C12H24N/c1-7-9-12(10(3)8-2)11(4)13(5)6/h7,9-10,12H,8H2,1-6H3/q+1
InChIKeyYNIKNEQLQFLFAK-UHFFFAOYSA-N
MW182.33 g/mol
LogP2.96
Rot. Bonds4

About 3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium

3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium (PubChem CID 91569156) has the molecular formula C12H24N+ and a molecular weight of 182.33 g/mol. Its IUPAC name is 3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium.

Molecular Properties

Compound Name3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium
PubChem CID91569156
Molecular FormulaC12H24N+
Molecular Weight182.33 g/mol
Exact Mass182.19
IUPAC Name3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium
SMILESCC=CC(C(C)=[N+](C)C)C(C)CC
InChIInChI=1S/C12H24N/c1-7-9-12(10(3)8-2)11(4)13(5)6/h7,9-10,12H,8H2,1-6H3/q+1
InChIKeyYNIKNEQLQFLFAK-UHFFFAOYSA-N
XLogP2.96
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2,2-dimethyl-3-[(E)-prop-1-enyl]cyclobutylidene]-dimethylazanium
CID 134861920
[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclobutylidene]-dimethylazanium
CID 139254724
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
(5E,9E)-2-pent-3-en-2-yl-1-azacyclododeca-1,5,9-triene
CID 70585414
2-Pent-3-en-2-yl-1-azacyclododeca-1,5,9-triene
CID 70585416
6-(3-Methylbutan-2-yl)-2,3-dihydropyridine
CID 91073798
4-butyl-N-methylcyclohex-2-en-1-imine
CID 91428157
N-butyl-5-methylcyclohex-2-en-1-imine
CID 123167409
3-ethylidene-N,5-dimethylheptan-2-imine
CID 123215732
N-ethyl-2,5,6-trimethylnon-4-en-3-imine
CID 123238622
N,4,5-trimethylhept-5-en-2-imine
CID 123336280
N,4-dimethylcyclohex-2-en-1-imine
CID 123345660

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium?
The IUPAC name of 3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium (CID 91569156) is 3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium.
What is the SMILES notation for 3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium?
The canonical SMILES for 3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium is CC=CC(C(C)=[N+](C)C)C(C)CC.
What is the InChIKey of 3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium?
The InChIKey is YNIKNEQLQFLFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N/c1-7-9-12(10(3)8-2)11(4)13(5)6/h7,9-10,12H,8H2,1-6H3/q+1.
What are the key properties of 3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium?
3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium has a molecular weight of 182.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium is sourced from PubChem (CID 91569156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).