N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine

C10H18BrNO — CID 80690224

IUPACN-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine
SMILESCN(CC1CC(Br)C1)C1CCOC1
InChIInChI=1S/C10H18BrNO/c1-12(10-2-3-13-7-10)6-8-4-9(11)5-8/h8-10H,2-7H2,1H3
InChIKeyYXOJJSHTRZTYBG-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.88
Rot. Bonds3

About N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine

N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine (PubChem CID 80690224) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine
PubChem CID80690224
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC NameN-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine
SMILESCN(CC1CC(Br)C1)C1CCOC1
InChIInChI=1S/C10H18BrNO/c1-12(10-2-3-13-7-10)6-8-4-9(11)5-8/h8-10H,2-7H2,1H3
InChIKeyYXOJJSHTRZTYBG-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminocyclopentyl)methyl]-N-methyloxolan-3-amine
CID 82739732
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82744252
N-(cyclopropylmethyl)-N-methyloxetan-3-amine
CID 123685252
N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine
CID 82744259
N-methyl-N-(oxan-4-ylmethyl)cyclopropanamine
CID 70661195
4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 82754506
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
2-[methyl(oxolan-3-yl)amino]acetaldehyde
CID 82742163
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]oxolan-3-amine
CID 104870205
N-methyl-N-(pyrrolidin-2-ylmethyl)oxolan-3-amine
CID 82739396
N-[(3-aminocyclopentyl)methyl]-N-methyloxan-4-amine
CID 66010288

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine (CID 80690224) is N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine is CN(CC1CC(Br)C1)C1CCOC1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine?
The InChIKey is YXOJJSHTRZTYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-12(10-2-3-13-7-10)6-8-4-9(11)5-8/h8-10H,2-7H2,1H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine?
N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine has a molecular weight of 248.16 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 80690224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).