3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium

C13H23N2+ — CID 91465705

IUPAC3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium
SMILESC/N=C/C=C(C)/[N+](C)=C/C=C(C)C(C)C
InChIInChI=1S/C13H23N2/c1-11(2)12(3)8-10-15(6)13(4)7-9-14-5/h7-11H,1-6H3/q+1/b12-8?,13-7?,14-9+,15-10+
InChIKeyCFSHXLQFDULCMT-ONFQJRMHSA-N
MW207.34 g/mol
LogP2.91
Rot. Bonds4

About 3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium

3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium (PubChem CID 91465705) has the molecular formula C13H23N2+ and a molecular weight of 207.34 g/mol. Its IUPAC name is 3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium.

Molecular Properties

Compound Name3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium
PubChem CID91465705
Molecular FormulaC13H23N2+
Molecular Weight207.34 g/mol
Exact Mass207.19
IUPAC Name3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium
SMILESC/N=C/C=C(C)/[N+](C)=C/C=C(C)C(C)C
InChIInChI=1S/C13H23N2/c1-11(2)12(3)8-10-15(6)13(4)7-9-14-5/h7-11H,1-6H3/q+1/b12-8?,13-7?,14-9+,15-10+
InChIKeyCFSHXLQFDULCMT-ONFQJRMHSA-N
XLogP2.91
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-Methyl-2-(3-methyl-but-2-enylideneamino)-pent-2-enenitrile
CID 5373740
(2Z,6Z)-2,3-di(propan-2-yl)-1,5-diazocine
CID 58763006
[(2E,4Z,6E,8E)-9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 59109574
[9-(Dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 72519405
(Z)-1-ethylimino-4-methylpent-2-en-3-amine
CID 89174968
N-[(Z)-5-methylhex-2-en-2-yl]ethanimine
CID 89193948
(2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine
CID 90737213
N-[(E)-4-methylhex-2-en-2-yl]ethanimine
CID 90864591
(Z)-N-(3-methylbut-2-en-2-yl)-2-propan-2-ylbut-2-en-1-imine
CID 90926049
5-propan-2-yl-2H-1,4-diazepine
CID 91005405
2-ethyl-4-methyl-6-propan-2-yl-4H-azepine
CID 91195941
2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91277402

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium?
The IUPAC name of 3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium (CID 91465705) is 3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium.
What is the SMILES notation for 3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium?
The canonical SMILES for 3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium is C/N=C/C=C(C)/[N+](C)=C/C=C(C)C(C)C.
What is the InChIKey of 3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium?
The InChIKey is CFSHXLQFDULCMT-ONFQJRMHSA-N. The full InChI is InChI=1S/C13H23N2/c1-11(2)12(3)8-10-15(6)13(4)7-9-14-5/h7-11H,1-6H3/q+1/b12-8?,13-7?,14-9+,15-10+.
What are the key properties of 3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium?
3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium has a molecular weight of 207.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium is sourced from PubChem (CID 91465705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).