1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol

C11H24BrNO — CID 112561467

IUPAC1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol
SMILESCCCCCN(CC(O)CBr)C(C)C
InChIInChI=1S/C11H24BrNO/c1-4-5-6-7-13(10(2)3)9-11(14)8-12/h10-11,14H,4-9H2,1-3H3
InChIKeyVDPOBQBQESTFKI-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.64
Rot. Bonds8

About 1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol

1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol (PubChem CID 112561467) has the molecular formula C11H24BrNO and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol
PubChem CID112561467
Molecular FormulaC11H24BrNO
Molecular Weight266.22 g/mol
Exact Mass265.10
IUPAC Name1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol
SMILESCCCCCN(CC(O)CBr)C(C)C
InChIInChI=1S/C11H24BrNO/c1-4-5-6-7-13(10(2)3)9-11(14)8-12/h10-11,14H,4-9H2,1-3H3
InChIKeyVDPOBQBQESTFKI-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.64
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-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol
CID 112561466
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
1-[2-hydroxydodecyl(propan-2-yl)amino]tridecan-2-ol
CID 171814651
1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65449253
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide
CID 63583676
1-[2-hydroxybutyl(pentyl)amino]butan-2-ol
CID 23423727
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
1-(dipentylamino)butan-2-ol
CID 21496903
4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol
CID 62624462
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol (CID 112561467) is 1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol is CCCCCN(CC(O)CBr)C(C)C.
What is the InChIKey of 1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is VDPOBQBQESTFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO/c1-4-5-6-7-13(10(2)3)9-11(14)8-12/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol?
1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 266.22 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 112561467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).