3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium

C14H30N+ — CID 58006273

IUPAC3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium
SMILESC=C(C(C)C)[N+](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30N/c1-10(2)14(9)15(11(3)4,12(5)6)13(7)8/h10-13H,9H2,1-8H3/q+1
InChIKeyVGUMWABHXDWUIN-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.20
Rot. Bonds5

About 3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium

3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium (PubChem CID 58006273) has the molecular formula C14H30N+ and a molecular weight of 212.40 g/mol. Its IUPAC name is 3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium.

Molecular Properties

Compound Name3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium
PubChem CID58006273
Molecular FormulaC14H30N+
Molecular Weight212.40 g/mol
Exact Mass212.24
IUPAC Name3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium
SMILESC=C(C(C)C)[N+](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30N/c1-10(2)14(9)15(11(3)4,12(5)6)13(7)8/h10-13H,9H2,1-8H3/q+1
InChIKeyVGUMWABHXDWUIN-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium?
The IUPAC name of 3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium (CID 58006273) is 3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium.
What is the SMILES notation for 3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium?
The canonical SMILES for 3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium is C=C(C(C)C)[N+](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium?
The InChIKey is VGUMWABHXDWUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N/c1-10(2)14(9)15(11(3)4,12(5)6)13(7)8/h10-13H,9H2,1-8H3/q+1.
What are the key properties of 3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium?
3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium has a molecular weight of 212.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-1-en-2-yl-tri(propan-2-yl)azanium is sourced from PubChem (CID 58006273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).