1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine

C11H22BrNO — CID 103139985

IUPAC1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
SMILESCC1CCC(CN(C)C(C)(C)CBr)O1
InChIInChI=1S/C11H22BrNO/c1-9-5-6-10(14-9)7-13(4)11(2,3)8-12/h9-10H,5-8H2,1-4H3
InChIKeyINNRDADJRBBPKF-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.66
Rot. Bonds4

About 1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine

1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine (PubChem CID 103139985) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
PubChem CID103139985
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
SMILESCC1CCC(CN(C)C(C)(C)CBr)O1
InChIInChI=1S/C11H22BrNO/c1-9-5-6-10(14-9)7-13(4)11(2,3)8-12/h9-10H,5-8H2,1-4H3
InChIKeyINNRDADJRBBPKF-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.66
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

2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-methyloxolane
CID 103142758
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 63965016
N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide
CID 130659174
N-[(5-methyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 82837967
N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103139726
2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 103139740
2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid
CID 82839853
3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine
CID 103140103
N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]butan-2-amine
CID 63965449
4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one
CID 103134322
[(2R,5R)-5-methyloxolan-2-yl]methanamine
CID 124512926
N-[(5-methyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 82838195

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine (CID 103139985) is 1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine is CC1CCC(CN(C)C(C)(C)CBr)O1.
What is the InChIKey of 1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine?
The InChIKey is INNRDADJRBBPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-9-5-6-10(14-9)7-13(4)11(2,3)8-12/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine?
1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine has a molecular weight of 264.21 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 103139985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).