N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine

C12H24BrN — CID 65009626

IUPACN-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)CC1(CBr)CCC1
InChIInChI=1S/C12H24BrN/c1-10(2)11(3)14(4)9-12(8-13)6-5-7-12/h10-11H,5-9H2,1-4H3
InChIKeyIQTPAMBQTKSZFY-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.53
Rot. Bonds5

About N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine

N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine (PubChem CID 65009626) has the molecular formula C12H24BrN and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine
PubChem CID65009626
Molecular FormulaC12H24BrN
Molecular Weight262.23 g/mol
Exact Mass261.11
IUPAC NameN-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)CC1(CBr)CCC1
InChIInChI=1S/C12H24BrN/c1-10(2)11(3)14(4)9-12(8-13)6-5-7-12/h10-11H,5-9H2,1-4H3
InChIKeyIQTPAMBQTKSZFY-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine
CID 65009190
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine
CID 65004499
[1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol
CID 62271498
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-2-amine
CID 55051780
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine
CID 65010565
N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine
CID 65009362
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-1-amine
CID 65003333
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65009142
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
CID 65001469
N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65009044
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 65002013
1,1-bis(bromomethyl)cyclobutane
CID 12651155

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine (CID 65009626) is N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine is CC(C)C(C)N(C)CC1(CBr)CCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is IQTPAMBQTKSZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN/c1-10(2)11(3)14(4)9-12(8-13)6-5-7-12/h10-11H,5-9H2,1-4H3.
What are the key properties of N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine?
N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 262.23 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 65009626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).