N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine

C12H22BrNO2 — CID 82748066

IUPACN-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine
SMILESCN(CC1(CBr)CCOCC1)C1CCOC1
InChIInChI=1S/C12H22BrNO2/c1-14(11-2-5-16-8-11)10-12(9-13)3-6-15-7-4-12/h11H,2-10H2,1H3
InChIKeyHBNQHTRHRGGRLZ-UHFFFAOYSA-N
MW292.22 g/mol
LogP1.90
Rot. Bonds4

About N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine

N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine (PubChem CID 82748066) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine
PubChem CID82748066
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC NameN-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine
SMILESCN(CC1(CBr)CCOCC1)C1CCOC1
InChIInChI=1S/C12H22BrNO2/c1-14(11-2-5-16-8-11)10-12(9-13)3-6-15-7-4-12/h11H,2-10H2,1H3
InChIKeyHBNQHTRHRGGRLZ-UHFFFAOYSA-N
XLogP1.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82747858
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine
CID 65004803
[1-[[methyl(oxolan-3-yl)amino]methyl]cyclopropyl]methanethiol
CID 82744739
N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82744183
4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol
CID 104985620
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine
CID 65010270
4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine
CID 115295354
1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde
CID 82743523
1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 65004912
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N-methylcyclohexanamine
CID 62392849
N-(9-bromononyl)-N-methyloxolan-3-amine
CID 105343849

Frequently Asked Questions

What is the IUPAC name of N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine (CID 82748066) is N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine is CN(CC1(CBr)CCOCC1)C1CCOC1.
What is the InChIKey of N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine?
The InChIKey is HBNQHTRHRGGRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-14(11-2-5-16-8-11)10-12(9-13)3-6-15-7-4-12/h11H,2-10H2,1H3.
What are the key properties of N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine?
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine has a molecular weight of 292.22 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82748066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).