3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium

C10H20N+ — CID 123560519

IUPAC3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium
SMILESCC/[N+](C)=C(\C)C(C)=C(C)C
InChIInChI=1S/C10H20N/c1-7-11(6)10(5)9(4)8(2)3/h7H2,1-6H3/q+1/b11-10+
InChIKeyIBXPXLRPVNMMRP-ZHACJKMWSA-N
MW154.28 g/mol
LogP2.47
Rot. Bonds2

About 3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium

3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium (PubChem CID 123560519) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is 3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium.

Molecular Properties

Compound Name3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium
PubChem CID123560519
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Name3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium
SMILESCC/[N+](C)=C(\C)C(C)=C(C)C
InChIInChI=1S/C10H20N/c1-7-11(6)10(5)9(4)8(2)3/h7H2,1-6H3/q+1/b11-10+
InChIKeyIBXPXLRPVNMMRP-ZHACJKMWSA-N
XLogP2.47
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
CID 89207606
1,4,5,6-Tetramethyl-2,3-dihydropyridin-1-ium
CID 21303741
1,3,4,5-tetramethyl-2H-pyrrol-1-ium
CID 21303742
N,3,4-trimethylpent-3-en-2-imine
CID 54299985
N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 57587526
[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium
CID 58939582
carbanide;meitnerium;2,3,4,5-tetramethyl-2H-pyrrole
CID 59085075
N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine
CID 59366452
N-ethyl-3,4-dimethylpent-3-en-2-imine
CID 59576226
(Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine
CID 59879255
1,2,3,4,5-pentamethyl-2H-pyrrol-1-ium
CID 59881189

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium?
The IUPAC name of 3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium (CID 123560519) is 3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium.
What is the SMILES notation for 3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium?
The canonical SMILES for 3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium is CC/[N+](C)=C(\C)C(C)=C(C)C.
What is the InChIKey of 3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium?
The InChIKey is IBXPXLRPVNMMRP-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N/c1-7-11(6)10(5)9(4)8(2)3/h7H2,1-6H3/q+1/b11-10+.
What are the key properties of 3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium?
3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium has a molecular weight of 154.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpent-3-en-2-ylidene-ethyl-methylazanium is sourced from PubChem (CID 123560519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).