amino-dimethyl-(3-methylbut-3-en-2-yl)azanium

C7H17N2+ — CID 123329030

IUPACamino-dimethyl-(3-methylbut-3-en-2-yl)azanium
SMILESC=C(C)C(C)[N+](C)(C)N
InChIInChI=1S/C7H17N2/c1-6(2)7(3)9(4,5)8/h7H,1,8H2,2-5H3/q+1
InChIKeyNVMRTTMJRYACGV-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.90
Rot. Bonds2

About amino-dimethyl-(3-methylbut-3-en-2-yl)azanium

amino-dimethyl-(3-methylbut-3-en-2-yl)azanium (PubChem CID 123329030) has the molecular formula C7H17N2+ and a molecular weight of 129.23 g/mol. Its IUPAC name is amino-dimethyl-(3-methylbut-3-en-2-yl)azanium.

Molecular Properties

Compound Nameamino-dimethyl-(3-methylbut-3-en-2-yl)azanium
PubChem CID123329030
Molecular FormulaC7H17N2+
Molecular Weight129.23 g/mol
Exact Mass129.14
IUPAC Nameamino-dimethyl-(3-methylbut-3-en-2-yl)azanium
SMILESC=C(C)C(C)[N+](C)(C)N
InChIInChI=1S/C7H17N2/c1-6(2)7(3)9(4,5)8/h7H,1,8H2,2-5H3/q+1
InChIKeyNVMRTTMJRYACGV-UHFFFAOYSA-N
XLogP0.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-dimethyl-(3-methylbut-3-en-2-yl)azanium?
The IUPAC name of amino-dimethyl-(3-methylbut-3-en-2-yl)azanium (CID 123329030) is amino-dimethyl-(3-methylbut-3-en-2-yl)azanium.
What is the SMILES notation for amino-dimethyl-(3-methylbut-3-en-2-yl)azanium?
The canonical SMILES for amino-dimethyl-(3-methylbut-3-en-2-yl)azanium is C=C(C)C(C)[N+](C)(C)N.
What is the InChIKey of amino-dimethyl-(3-methylbut-3-en-2-yl)azanium?
The InChIKey is NVMRTTMJRYACGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2/c1-6(2)7(3)9(4,5)8/h7H,1,8H2,2-5H3/q+1.
What are the key properties of amino-dimethyl-(3-methylbut-3-en-2-yl)azanium?
amino-dimethyl-(3-methylbut-3-en-2-yl)azanium has a molecular weight of 129.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-dimethyl-(3-methylbut-3-en-2-yl)azanium is sourced from PubChem (CID 123329030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).