5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol

C11H24BrNO — CID 107203593

IUPAC5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol
SMILESCCC(CBr)CN(C)CCCCCO
InChIInChI=1S/C11H24BrNO/c1-3-11(9-12)10-13(2)7-5-4-6-8-14/h11,14H,3-10H2,1-2H3
InChIKeySGMCPGIALYJQGW-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.50
Rot. Bonds9

About 5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol

5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol (PubChem CID 107203593) has the molecular formula C11H24BrNO and a molecular weight of 266.22 g/mol. Its IUPAC name is 5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol
PubChem CID107203593
Molecular FormulaC11H24BrNO
Molecular Weight266.22 g/mol
Exact Mass265.10
IUPAC Name5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol
SMILESCCC(CBr)CN(C)CCCCCO
InChIInChI=1S/C11H24BrNO/c1-3-11(9-12)10-13(2)7-5-4-6-8-14/h11,14H,3-10H2,1-2H3
InChIKeySGMCPGIALYJQGW-UHFFFAOYSA-N
XLogP2.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-[2-ethylhexyl(methyl)amino]pentan-1-ol
CID 107203981
5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
2-[2-(bromomethyl)butyl-propylamino]ethanol
CID 65000871
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol
CID 107203582
2-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methylbutan-1-amine
CID 64997558
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide
CID 107204205
N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol
CID 169214639
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
[9-(2-hexyldecanoyloxy)-5-[[4-hydroxybutyl(methyl)amino]methyl]nonyl] 2-hexyldecanoate
CID 167523681

Frequently Asked Questions

What is the IUPAC name of 5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol?
The IUPAC name of 5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol (CID 107203593) is 5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol is CCC(CBr)CN(C)CCCCCO.
What is the InChIKey of 5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol?
The InChIKey is SGMCPGIALYJQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO/c1-3-11(9-12)10-13(2)7-5-4-6-8-14/h11,14H,3-10H2,1-2H3.
What are the key properties of 5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol?
5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol has a molecular weight of 266.22 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol is sourced from PubChem (CID 107203593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).