amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium

C14H31N2+ — CID 163665496

IUPACamino-methyl-(1-methylcyclononyl)-propan-2-ylazanium
SMILESCC(C)[N+](C)(N)C1(C)CCCCCCCC1
InChIInChI=1S/C14H31N2/c1-13(2)16(4,15)14(3)11-9-7-5-6-8-10-12-14/h13H,5-12,15H2,1-4H3/q+1
InChIKeyMBRQLFOFNQPTNW-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.61
Rot. Bonds2

About amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium

amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium (PubChem CID 163665496) has the molecular formula C14H31N2+ and a molecular weight of 227.42 g/mol. Its IUPAC name is amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium.

Molecular Properties

Compound Nameamino-methyl-(1-methylcyclononyl)-propan-2-ylazanium
PubChem CID163665496
Molecular FormulaC14H31N2+
Molecular Weight227.42 g/mol
Exact Mass227.25
IUPAC Nameamino-methyl-(1-methylcyclononyl)-propan-2-ylazanium
SMILESCC(C)[N+](C)(N)C1(C)CCCCCCCC1
InChIInChI=1S/C14H31N2/c1-13(2)16(4,15)14(3)11-9-7-5-6-8-10-12-14/h13H,5-12,15H2,1-4H3/q+1
InChIKeyMBRQLFOFNQPTNW-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium?
The IUPAC name of amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium (CID 163665496) is amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium.
What is the SMILES notation for amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium?
The canonical SMILES for amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium is CC(C)[N+](C)(N)C1(C)CCCCCCCC1.
What is the InChIKey of amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium?
The InChIKey is MBRQLFOFNQPTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N2/c1-13(2)16(4,15)14(3)11-9-7-5-6-8-10-12-14/h13H,5-12,15H2,1-4H3/q+1.
What are the key properties of amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium?
amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium has a molecular weight of 227.42 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-methyl-(1-methylcyclononyl)-propan-2-ylazanium is sourced from PubChem (CID 163665496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).