methyl-methylidene-(4-methylpent-1-en-2-yl)azanium

C8H16N+ — CID 123739644

IUPACmethyl-methylidene-(4-methylpent-1-en-2-yl)azanium
SMILESC=C(CC(C)C)[N+](=C)C
InChIInChI=1S/C8H16N/c1-7(2)6-8(3)9(4)5/h7H,3-4,6H2,1-2,5H3/q+1
InChIKeyYLIXPVPBVKBEOX-UHFFFAOYSA-N
MW126.22 g/mol
LogP1.89
Rot. Bonds3

About methyl-methylidene-(4-methylpent-1-en-2-yl)azanium

methyl-methylidene-(4-methylpent-1-en-2-yl)azanium (PubChem CID 123739644) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is methyl-methylidene-(4-methylpent-1-en-2-yl)azanium.

Molecular Properties

Compound Namemethyl-methylidene-(4-methylpent-1-en-2-yl)azanium
PubChem CID123739644
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Namemethyl-methylidene-(4-methylpent-1-en-2-yl)azanium
SMILESC=C(CC(C)C)[N+](=C)C
InChIInChI=1S/C8H16N/c1-7(2)6-8(3)9(4)5/h7H,3-4,6H2,1-2,5H3/q+1
InChIKeyYLIXPVPBVKBEOX-UHFFFAOYSA-N
XLogP1.89
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methyl-methylidene-(4-methylpent-1-en-2-yl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N,N,3,4-tetramethylhexa-1,5-dien-2-amine
CID 143478785
N-butyl-3-methyl-N-propylpent-1-en-2-amine
CID 18717520
N,N,3-trimethylpent-1-en-2-amine
CID 18717523
N,N-diethyl-3-methylpent-1-en-2-amine
CID 18717524
N,N-dibutyl-3-methylpent-1-en-2-amine
CID 18721539
N,N,4-trimethylpent-1-en-2-amine
CID 59989186
N,N,5-trimethylhex-1-en-2-amine
CID 89459518
N-ethyl-N,4-dimethylpent-1-en-2-amine
CID 89696933
N,4-dimethyl-N-(3-methylbutyl)pent-1-en-2-amine
CID 89706909
N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine
CID 90787138
N,4-dimethyl-N-(2-methylpropyl)pent-1-en-2-amine
CID 90921321
N-(3-methylpent-1-en-2-yl)methanimine
CID 90970765

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(4-methylpent-1-en-2-yl)azanium?
The IUPAC name of methyl-methylidene-(4-methylpent-1-en-2-yl)azanium (CID 123739644) is methyl-methylidene-(4-methylpent-1-en-2-yl)azanium.
What is the SMILES notation for methyl-methylidene-(4-methylpent-1-en-2-yl)azanium?
The canonical SMILES for methyl-methylidene-(4-methylpent-1-en-2-yl)azanium is C=C(CC(C)C)[N+](=C)C.
What is the InChIKey of methyl-methylidene-(4-methylpent-1-en-2-yl)azanium?
The InChIKey is YLIXPVPBVKBEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N/c1-7(2)6-8(3)9(4)5/h7H,3-4,6H2,1-2,5H3/q+1.
What are the key properties of methyl-methylidene-(4-methylpent-1-en-2-yl)azanium?
methyl-methylidene-(4-methylpent-1-en-2-yl)azanium has a molecular weight of 126.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(4-methylpent-1-en-2-yl)azanium is sourced from PubChem (CID 123739644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).