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

C13H27BrN2 — CID 105416251

IUPAC1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CC(C)(C)CBr)CC1(N(C)C)CCC1
InChIInChI=1S/C13H27BrN2/c1-12(2,9-14)10-16(5)11-13(15(3)4)7-6-8-13/h6-11H2,1-5H3
InChIKeyCTFATZRLEBAOLS-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.82
Rot. Bonds6

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

1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105416251) has the molecular formula C13H27BrN2 and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105416251
Molecular FormulaC13H27BrN2
Molecular Weight291.28 g/mol
Exact Mass290.14
IUPAC Name1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CC(C)(C)CBr)CC1(N(C)C)CCC1
InChIInChI=1S/C13H27BrN2/c1-12(2,9-14)10-16(5)11-13(15(3)4)7-6-8-13/h6-11H2,1-5H3
InChIKeyCTFATZRLEBAOLS-UHFFFAOYSA-N
XLogP2.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.82
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-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105416251) is 1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(CC(C)(C)CBr)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is CTFATZRLEBAOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrN2/c1-12(2,9-14)10-16(5)11-13(15(3)4)7-6-8-13/h6-11H2,1-5H3.
What are the key properties of 1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 291.28 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105416251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).