2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine

C13H26BrNO — CID 65015785

IUPAC2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine
SMILESCN(CC1CCCO1)CC(CBr)C(C)(C)C
InChIInChI=1S/C13H26BrNO/c1-13(2,3)11(8-14)9-15(4)10-12-6-5-7-16-12/h11-12H,5-10H2,1-4H3
InChIKeyADNPMGSMBYCRFA-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.15
Rot. Bonds5

About 2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine

2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine (PubChem CID 65015785) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine
PubChem CID65015785
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine
SMILESCN(CC1CCCO1)CC(CBr)C(C)(C)C
InChIInChI=1S/C13H26BrNO/c1-13(2,3)11(8-14)9-15(4)10-12-6-5-7-16-12/h11-12H,5-10H2,1-4H3
InChIKeyADNPMGSMBYCRFA-UHFFFAOYSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.15
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

1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 61431541
2-[3-(bromomethyl)-4,4-dimethylpentyl]oxolane
CID 83141240
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 156714058
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
2-[4-(bromomethyl)-5,5-dimethylhexyl]oxolane
CID 83141397
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
1-cyclohexyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745207
1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 79039900
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898632
3,3,3-trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid
CID 80997298
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine?
The IUPAC name of 2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine (CID 65015785) is 2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine is CN(CC1CCCO1)CC(CBr)C(C)(C)C.
What is the InChIKey of 2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine?
The InChIKey is ADNPMGSMBYCRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-13(2,3)11(8-14)9-15(4)10-12-6-5-7-16-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine?
2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine has a molecular weight of 292.26 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 65015785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).