1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C14H27BrN2 — CID 105416252

IUPAC1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CC1(CBr)CCC1)CC1(N(C)C)CCC1
InChIInChI=1S/C14H27BrN2/c1-16(2)14(8-5-9-14)12-17(3)11-13(10-15)6-4-7-13/h4-12H2,1-3H3
InChIKeyGDIXQAUDJDDZOZ-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.97
Rot. Bonds6

About 1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105416252) has the molecular formula C14H27BrN2 and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105416252
Molecular FormulaC14H27BrN2
Molecular Weight303.29 g/mol
Exact Mass302.14
IUPAC Name1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CC1(CBr)CCC1)CC1(N(C)C)CCC1
InChIInChI=1S/C14H27BrN2/c1-16(2)14(8-5-9-14)12-17(3)11-13(10-15)6-4-7-13/h4-12H2,1-3H3
InChIKeyGDIXQAUDJDDZOZ-UHFFFAOYSA-N
XLogP2.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.97
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-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105416252) is 1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(CC1(CBr)CCC1)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is GDIXQAUDJDDZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN2/c1-16(2)14(8-5-9-14)12-17(3)11-13(10-15)6-4-7-13/h4-12H2,1-3H3.
What are the key properties of 1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 303.29 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105416252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).