N-(9-bromononyl)-N-methyloxolan-3-amine

C14H28BrNO — CID 105343849

IUPACN-(9-bromononyl)-N-methyloxolan-3-amine
SMILESCN(CCCCCCCCCBr)C1CCOC1
InChIInChI=1S/C14H28BrNO/c1-16(14-9-12-17-13-14)11-8-6-4-2-3-5-7-10-15/h14H,2-13H2,1H3
InChIKeyAZYVNJDJLGMUNB-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.83
Rot. Bonds10

About N-(9-bromononyl)-N-methyloxolan-3-amine

N-(9-bromononyl)-N-methyloxolan-3-amine (PubChem CID 105343849) has the molecular formula C14H28BrNO and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(9-bromononyl)-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(9-bromononyl)-N-methyloxolan-3-amine
PubChem CID105343849
Molecular FormulaC14H28BrNO
Molecular Weight306.29 g/mol
Exact Mass305.14
IUPAC NameN-(9-bromononyl)-N-methyloxolan-3-amine
SMILESCN(CCCCCCCCCBr)C1CCOC1
InChIInChI=1S/C14H28BrNO/c1-16(14-9-12-17-13-14)11-8-6-4-2-3-5-7-10-15/h14H,2-13H2,1H3
InChIKeyAZYVNJDJLGMUNB-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(9-bromononyl)-N-methyloxolan-3-amine 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

N-butyl-N-methyloxolan-3-amine
CID 154189060
N-(3-chloropropyl)-N-methyloxolan-3-amine
CID 82747859
N'-methyl-N'-(oxolan-3-yl)-N-propan-2-ylpentane-1,5-diamine
CID 82754082
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
CID 82754356
6-[methyl(oxolan-3-yl)amino]hexanehydrazide
CID 82753777
N-(5-bromopentyl)-N-methylcyclohexanamine
CID 14089133
5-[methyl(oxan-3-yl)amino]pentan-1-ol
CID 107204072
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82735583
N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine
CID 105343835
N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82753838
N',2-dimethyl-N'-(oxolan-3-yl)pentane-1,5-diamine
CID 82739452
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941

Frequently Asked Questions

What is the IUPAC name of N-(9-bromononyl)-N-methyloxolan-3-amine?
The IUPAC name of N-(9-bromononyl)-N-methyloxolan-3-amine (CID 105343849) is N-(9-bromononyl)-N-methyloxolan-3-amine.
What is the SMILES notation for N-(9-bromononyl)-N-methyloxolan-3-amine?
The canonical SMILES for N-(9-bromononyl)-N-methyloxolan-3-amine is CN(CCCCCCCCCBr)C1CCOC1.
What is the InChIKey of N-(9-bromononyl)-N-methyloxolan-3-amine?
The InChIKey is AZYVNJDJLGMUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrNO/c1-16(14-9-12-17-13-14)11-8-6-4-2-3-5-7-10-15/h14H,2-13H2,1H3.
What are the key properties of N-(9-bromononyl)-N-methyloxolan-3-amine?
N-(9-bromononyl)-N-methyloxolan-3-amine has a molecular weight of 306.29 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-bromononyl)-N-methyloxolan-3-amine is sourced from PubChem (CID 105343849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).