4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol

C12H22BrNO2 — CID 114952439

IUPAC4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)CC1(CBr)CC1
InChIInChI=1S/C12H22BrNO2/c1-14(9-11(8-13)2-3-11)10-12(15)4-6-16-7-5-12/h15H,2-10H2,1H3
InChIKeyDZJGVIFYZVRUFG-UHFFFAOYSA-N
MW292.22 g/mol
LogP1.63
Rot. Bonds5

About 4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol

4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol (PubChem CID 114952439) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol
PubChem CID114952439
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC Name4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)CC1(CBr)CC1
InChIInChI=1S/C12H22BrNO2/c1-14(9-11(8-13)2-3-11)10-12(15)4-6-16-7-5-12/h15H,2-10H2,1H3
InChIKeyDZJGVIFYZVRUFG-UHFFFAOYSA-N
XLogP1.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
CID 114953654
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol
CID 105343882
3-[[4-(bromomethyl)oxan-4-yl]methyl-methylamino]propanenitrile
CID 65004646
4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol
CID 114953652
4-[[[2-(bromomethyl)-2-propylpentyl]-methylamino]methyl]oxan-4-ol
CID 114952430
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 114953386
4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
CID 115746956

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol (CID 114952439) is 4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)CC1(CBr)CC1.
What is the InChIKey of 4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is DZJGVIFYZVRUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-14(9-11(8-13)2-3-11)10-12(15)4-6-16-7-5-12/h15H,2-10H2,1H3.
What are the key properties of 4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol?
4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 292.22 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114952439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).