dimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium

C10H22N+ — CID 91185127

IUPACdimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium
SMILESC=C(C(C)C)[N+](C)(C)C(C)C
InChIInChI=1S/C10H22N/c1-8(2)10(5)11(6,7)9(3)4/h8-9H,5H2,1-4,6-7H3/q+1
InChIKeyBYWGQTCKKRVCER-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.64
Rot. Bonds3

About dimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium

dimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium (PubChem CID 91185127) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is dimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium.

Molecular Properties

Compound Namedimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium
PubChem CID91185127
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Namedimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium
SMILESC=C(C(C)C)[N+](C)(C)C(C)C
InChIInChI=1S/C10H22N/c1-8(2)10(5)11(6,7)9(3)4/h8-9H,5H2,1-4,6-7H3/q+1
InChIKeyBYWGQTCKKRVCER-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.64
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 dimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium?
The IUPAC name of dimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium (CID 91185127) is dimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium.
What is the SMILES notation for dimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium?
The canonical SMILES for dimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium is C=C(C(C)C)[N+](C)(C)C(C)C.
What is the InChIKey of dimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium?
The InChIKey is BYWGQTCKKRVCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N/c1-8(2)10(5)11(6,7)9(3)4/h8-9H,5H2,1-4,6-7H3/q+1.
What are the key properties of dimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium?
dimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium has a molecular weight of 156.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3-methylbut-1-en-2-yl)-propan-2-ylazanium is sourced from PubChem (CID 91185127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).