1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C12H25BrN2 — CID 105416253

IUPAC1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCC(CBr)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C12H25BrN2/c1-11(8-13)9-15(4)10-12(14(2)3)6-5-7-12/h11H,5-10H2,1-4H3
InChIKeyMYZNRDHBQBUGFI-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.43
Rot. Bonds6

About 1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105416253) has the molecular formula C12H25BrN2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105416253
Molecular FormulaC12H25BrN2
Molecular Weight277.25 g/mol
Exact Mass276.12
IUPAC Name1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCC(CBr)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C12H25BrN2/c1-11(8-13)9-15(4)10-12(14(2)3)6-5-7-12/h11H,5-10H2,1-4H3
InChIKeyMYZNRDHBQBUGFI-UHFFFAOYSA-N
XLogP2.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105416253) is 1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CC(CBr)CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is MYZNRDHBQBUGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrN2/c1-11(8-13)9-15(4)10-12(14(2)3)6-5-7-12/h11H,5-10H2,1-4H3.
What are the key properties of 1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 277.25 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105416253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).