[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium

C10H21N2+ — CID 58939582

IUPAC[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium
SMILESCC(/C(C)=C(/C)N(C)C)=[N+](C)C
InChIInChI=1S/C10H21N2/c1-8(9(2)11(4)5)10(3)12(6)7/h1-7H3/q+1
InChIKeyYTHPTNWOSOZFMU-UHFFFAOYSA-N
MW169.29 g/mol
LogP1.57
Rot. Bonds2

About [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium

[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium (PubChem CID 58939582) has the molecular formula C10H21N2+ and a molecular weight of 169.29 g/mol. Its IUPAC name is [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium
PubChem CID58939582
Molecular FormulaC10H21N2+
Molecular Weight169.29 g/mol
Exact Mass169.17
IUPAC Name[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium
SMILESCC(/C(C)=C(/C)N(C)C)=[N+](C)C
InChIInChI=1S/C10H21N2/c1-8(9(2)11(4)5)10(3)12(6)7/h1-7H3/q+1
InChIKeyYTHPTNWOSOZFMU-UHFFFAOYSA-N
XLogP1.57
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.57
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

(Z)-N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 18725311
1,2,4,5-tetramethyl-3H-pyrrol-1-ium
CID 21335521
N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 57587526
[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium
CID 59599983
methyl-[(Z)-3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
CID 59932858
Methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
CID 59955792
N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 59955793
CID 69907556
CID 69907556
1,2,2,4,5,6-Hexamethylpyrimidine
CID 69907557
1,2,4,5,6-pentamethyl-2H-pyrimidine
CID 70522582
3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine
CID 88274729
(3E,6E)-2-N,8-N,3,4,6,7-hexamethylnona-3,6-diene-2,8-diimine
CID 89900803

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium?
The IUPAC name of [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium (CID 58939582) is [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium?
The canonical SMILES for [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium is CC(/C(C)=C(/C)N(C)C)=[N+](C)C.
What is the InChIKey of [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium?
The InChIKey is YTHPTNWOSOZFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2/c1-8(9(2)11(4)5)10(3)12(6)7/h1-7H3/q+1.
What are the key properties of [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium?
[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium has a molecular weight of 169.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium is sourced from PubChem (CID 58939582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).