1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol

C12H24BrNO — CID 79390593

IUPAC1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)CC1(CBr)CCC1
InChIInChI=1S/C12H24BrNO/c1-4-14(9-11(2,3)15)10-12(8-13)6-5-7-12/h15H,4-10H2,1-3H3
InChIKeyMFPLOUMWTMFYTA-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.64
Rot. Bonds6

About 1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol

1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 79390593) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID79390593
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC Name1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)CC1(CBr)CCC1
InChIInChI=1S/C12H24BrNO/c1-4-14(9-11(2,3)15)10-12(8-13)6-5-7-12/h15H,4-10H2,1-3H3
InChIKeyMFPLOUMWTMFYTA-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.64
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

1-[ethyl-[[1-(hydroxymethyl)cyclohexyl]methyl]amino]-2-methylpropan-2-ol
CID 79379007
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65009142
1-[ethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]-2-methylpropan-2-ol
CID 79376706
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
CID 65002069
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65001962
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol
CID 79377988
1-[ethyl-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]amino]-2-methylpropan-2-ol
CID 79379260
2-[[1-(bromomethyl)cyclobutyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 65009843
3-[[1-(bromomethyl)cyclopentyl]methyl-ethylamino]propanenitrile
CID 65003288
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 65010133
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine
CID 65007549

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol (CID 79390593) is 1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)CC1(CBr)CCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is MFPLOUMWTMFYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-4-14(9-11(2,3)15)10-12(8-13)6-5-7-12/h15H,4-10H2,1-3H3.
What are the key properties of 1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol?
1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 278.23 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79390593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).