[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium

C10H20N2 — CID 59599983

IUPAC[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium
SMILESC=[N+](C)[C-](C)/C(C)=C(/C)N(C)C
InChIInChI=1S/C10H20N2/c1-8(9(2)11(4)5)10(3)12(6)7/h4H2,1-3,5-7H3/b10-8-
InChIKeyKEJBOBVQTXUPDY-NTMALXAHSA-N
MW168.28 g/mol
LogP1.74
Rot. Bonds3

About [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium

[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium (PubChem CID 59599983) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium.

Molecular Properties

Compound Name[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium
PubChem CID59599983
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium
SMILESC=[N+](C)[C-](C)/C(C)=C(/C)N(C)C
InChIInChI=1S/C10H20N2/c1-8(9(2)11(4)5)10(3)12(6)7/h4H2,1-3,5-7H3/b10-8-
InChIKeyKEJBOBVQTXUPDY-NTMALXAHSA-N
XLogP1.74
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium?
The IUPAC name of [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium (CID 59599983) is [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium.
What is the SMILES notation for [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium?
The canonical SMILES for [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium is C=[N+](C)[C-](C)/C(C)=C(/C)N(C)C.
What is the InChIKey of [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium?
The InChIKey is KEJBOBVQTXUPDY-NTMALXAHSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(9(2)11(4)5)10(3)12(6)7/h4H2,1-3,5-7H3/b10-8-.
What are the key properties of [(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium?
[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-yl]-methyl-methylideneazanium has a molecular weight of 168.28 g/mol, XLogP of 1.74, 3 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-yl]-methyl-methylideneazanium is sourced from PubChem (CID 59599983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).