1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol

C15H32BrNO — CID 105343823

IUPAC1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol
SMILESCCN(CCCCCCCCCBr)CC(C)(C)O
InChIInChI=1S/C15H32BrNO/c1-4-17(14-15(2,3)18)13-11-9-7-5-6-8-10-12-16/h18H,4-14H2,1-3H3
InChIKeyONICJOCCBULTFP-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.20
Rot. Bonds12

About 1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol

1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol (PubChem CID 105343823) has the molecular formula C15H32BrNO and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol
PubChem CID105343823
Molecular FormulaC15H32BrNO
Molecular Weight322.33 g/mol
Exact Mass321.17
IUPAC Name1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol
SMILESCCN(CCCCCCCCCBr)CC(C)(C)O
InChIInChI=1S/C15H32BrNO/c1-4-17(14-15(2,3)18)13-11-9-7-5-6-8-10-12-16/h18H,4-14H2,1-3H3
InChIKeyONICJOCCBULTFP-UHFFFAOYSA-N
XLogP4.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.20
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

1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
CID 79390324
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol
CID 79047122
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide
CID 79381978
1-[2-aminoethyl(ethyl)amino]-2-methylpropan-2-ol
CID 79006123
6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one
CID 106801517
1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol
CID 90370489
1,5-dibromopentane;N,N-diethylethanamine
CID 174758884
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide
CID 79380688
1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol
CID 78962338
1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol
CID 111462033
5-(diethylamino)-2-methylpentan-2-ol
CID 14530143
1,4-dibromobutane;bis(N,N-diethylethanamine)
CID 90390168

Frequently Asked Questions

What is the IUPAC name of 1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol (CID 105343823) is 1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol is CCN(CCCCCCCCCBr)CC(C)(C)O.
What is the InChIKey of 1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol?
The InChIKey is ONICJOCCBULTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32BrNO/c1-4-17(14-15(2,3)18)13-11-9-7-5-6-8-10-12-16/h18H,4-14H2,1-3H3.
What are the key properties of 1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol?
1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol has a molecular weight of 322.33 g/mol, XLogP of 4.20, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 105343823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).