4-[9-bromononyl(methyl)amino]butan-2-ol

C14H30BrNO — CID 105343869

IUPAC4-[9-bromononyl(methyl)amino]butan-2-ol
SMILESCC(O)CCN(C)CCCCCCCCCBr
InChIInChI=1S/C14H30BrNO/c1-14(17)10-13-16(2)12-9-7-5-3-4-6-8-11-15/h14,17H,3-13H2,1-2H3
InChIKeyPWQBEWGHPUDOLJ-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.81
Rot. Bonds12

About 4-[9-bromononyl(methyl)amino]butan-2-ol

4-[9-bromononyl(methyl)amino]butan-2-ol (PubChem CID 105343869) has the molecular formula C14H30BrNO and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-[9-bromononyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[9-bromononyl(methyl)amino]butan-2-ol
PubChem CID105343869
Molecular FormulaC14H30BrNO
Molecular Weight308.30 g/mol
Exact Mass307.15
IUPAC Name4-[9-bromononyl(methyl)amino]butan-2-ol
SMILESCC(O)CCN(C)CCCCCCCCCBr
InChIInChI=1S/C14H30BrNO/c1-14(17)10-13-16(2)12-9-7-5-3-4-6-8-11-15/h14,17H,3-13H2,1-2H3
InChIKeyPWQBEWGHPUDOLJ-UHFFFAOYSA-N
XLogP3.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.81
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'}

Analyze 4-[9-bromononyl(methyl)amino]butan-2-ol 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-(5-bromopentyl)-N-methylhexan-1-amine
CID 107204775
6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol
CID 63701347
4-[2-aminoethyl(methyl)amino]butan-2-ol
CID 86811494
N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide
CID 104869240
4-[but-3-enyl(methyl)amino]butan-2-ol
CID 115665768
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
7-(diethylamino)heptan-2-ol
CID 168866586
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
4-[methyl(2-propoxyethyl)amino]butan-2-ol
CID 106456260
N-(2-bromoethyl)-N-methylnonan-1-amine
CID 80673731
4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol
CID 115873167
5-bromo-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 107204906

Frequently Asked Questions

What is the IUPAC name of 4-[9-bromononyl(methyl)amino]butan-2-ol?
The IUPAC name of 4-[9-bromononyl(methyl)amino]butan-2-ol (CID 105343869) is 4-[9-bromononyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 4-[9-bromononyl(methyl)amino]butan-2-ol?
The canonical SMILES for 4-[9-bromononyl(methyl)amino]butan-2-ol is CC(O)CCN(C)CCCCCCCCCBr.
What is the InChIKey of 4-[9-bromononyl(methyl)amino]butan-2-ol?
The InChIKey is PWQBEWGHPUDOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30BrNO/c1-14(17)10-13-16(2)12-9-7-5-3-4-6-8-11-15/h14,17H,3-13H2,1-2H3.
What are the key properties of 4-[9-bromononyl(methyl)amino]butan-2-ol?
4-[9-bromononyl(methyl)amino]butan-2-ol has a molecular weight of 308.30 g/mol, XLogP of 3.81, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-bromononyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 105343869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).