2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol

C14H26BrNO — CID 65009202

IUPAC2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol
SMILESOCCN(CC1(CBr)CCC1)C1CCCCC1
InChIInChI=1S/C14H26BrNO/c15-11-14(7-4-8-14)12-16(9-10-17)13-5-2-1-3-6-13/h13,17H,1-12H2
InChIKeyPJDBFCFPZJKFAF-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.18
Rot. Bonds6

About 2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol

2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol (PubChem CID 65009202) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol
PubChem CID65009202
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC Name2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol
SMILESOCCN(CC1(CBr)CCC1)C1CCCCC1
InChIInChI=1S/C14H26BrNO/c15-11-14(7-4-8-14)12-16(9-10-17)13-5-2-1-3-6-13/h13,17H,1-12H2
InChIKeyPJDBFCFPZJKFAF-UHFFFAOYSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethylcyclohexanamine
CID 65009192
2-[[1-(bromomethyl)cyclobutyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 65009843
2-[cyclohexyl-[[3-(hydroxymethyl)oxolan-3-yl]methyl]amino]ethanol
CID 62265114
2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol
CID 63745392
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine
CID 65010174
1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276243
2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62272082
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine
CID 65010270
2-[cyclopropyl-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]amino]ethanol
CID 62270783
2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
CID 102871050
2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol
CID 63740897

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol?
The IUPAC name of 2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol (CID 65009202) is 2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol?
The canonical SMILES for 2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol is OCCN(CC1(CBr)CCC1)C1CCCCC1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol?
The InChIKey is PJDBFCFPZJKFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c15-11-14(7-4-8-14)12-16(9-10-17)13-5-2-1-3-6-13/h13,17H,1-12H2.
What are the key properties of 2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol?
2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol has a molecular weight of 304.27 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol is sourced from PubChem (CID 65009202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).