4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol

C16H32BrNO2 — CID 105343882

IUPAC4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCCCCCCBr)CC1(O)CCOCC1
InChIInChI=1S/C16H32BrNO2/c1-18(15-16(19)9-13-20-14-10-16)12-8-6-4-2-3-5-7-11-17/h19H,2-15H2,1H3
InChIKeyIBPCZTMLSNJGGU-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.59
Rot. Bonds11

About 4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol

4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 105343882) has the molecular formula C16H32BrNO2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol
PubChem CID105343882
Molecular FormulaC16H32BrNO2
Molecular Weight350.34 g/mol
Exact Mass349.16
IUPAC Name4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCCCCCCBr)CC1(O)CCOCC1
InChIInChI=1S/C16H32BrNO2/c1-18(15-16(19)9-13-20-14-10-16)12-8-6-4-2-3-5-7-11-17/h19H,2-15H2,1H3
InChIKeyIBPCZTMLSNJGGU-UHFFFAOYSA-N
XLogP3.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[5-chloropentyl(methyl)amino]methyl]oxan-4-ol
CID 114952437
4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol
CID 105344297
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol
CID 115746964
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol
CID 114952439
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol
CID 114952488
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
CID 115746978
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907

Frequently Asked Questions

What is the IUPAC name of 4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol (CID 105343882) is 4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol is CN(CCCCCCCCCBr)CC1(O)CCOCC1.
What is the InChIKey of 4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is IBPCZTMLSNJGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32BrNO2/c1-18(15-16(19)9-13-20-14-10-16)12-8-6-4-2-3-5-7-11-17/h19H,2-15H2,1H3.
What are the key properties of 4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol?
4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 350.34 g/mol, XLogP of 3.59, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 105343882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).