3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol

C12H24BrNO — CID 102869386

IUPAC3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol
SMILESOCCCN(CCCCCBr)C1CCC1
InChIInChI=1S/C12H24BrNO/c13-8-2-1-3-9-14(10-5-11-15)12-6-4-7-12/h12,15H,1-11H2
InChIKeySPZCFNNDEUEFKK-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.79
Rot. Bonds9

About 3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol

3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol (PubChem CID 102869386) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is 3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol
PubChem CID102869386
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC Name3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol
SMILESOCCCN(CCCCCBr)C1CCC1
InChIInChI=1S/C12H24BrNO/c13-8-2-1-3-9-14(10-5-11-15)12-6-4-7-12/h12,15H,1-11H2
InChIKeySPZCFNNDEUEFKK-UHFFFAOYSA-N
XLogP2.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.79
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

4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
N-(3-bromopropyl)-N-heptylcyclobutanamine
CID 102860068
6-[2-aminoethyl(cyclobutyl)amino]hexan-1-ol
CID 107707010
3-[cyclobutyl(2-fluoroethyl)amino]propan-1-ol
CID 102848338
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
N-(2-bromoethyl)-N-dodecylcyclobutanamine
CID 102860890
3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol
CID 102848652
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol
CID 149151262
3-[cyclobutyl(3-hydroxypropyl)amino]propanal
CID 102864313
6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide
CID 102873673

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol?
The IUPAC name of 3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol (CID 102869386) is 3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol.
What is the SMILES notation for 3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol?
The canonical SMILES for 3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol is OCCCN(CCCCCBr)C1CCC1.
What is the InChIKey of 3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol?
The InChIKey is SPZCFNNDEUEFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c13-8-2-1-3-9-14(10-5-11-15)12-6-4-7-12/h12,15H,1-11H2.
What are the key properties of 3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol?
3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol has a molecular weight of 278.23 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol is sourced from PubChem (CID 102869386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).