N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine

C11H23BrN2 — CID 65009044

IUPACN'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1(CBr)CCC1
InChIInChI=1S/C11H23BrN2/c1-13(2)7-8-14(3)10-11(9-12)5-4-6-11/h4-10H2,1-3H3
InChIKeyHXNZEVYPBXHUNH-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.05
Rot. Bonds6

About N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 65009044) has the molecular formula C11H23BrN2 and a molecular weight of 263.22 g/mol. Its IUPAC name is N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID65009044
Molecular FormulaC11H23BrN2
Molecular Weight263.22 g/mol
Exact Mass262.10
IUPAC NameN'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1(CBr)CCC1
InChIInChI=1S/C11H23BrN2/c1-13(2)7-8-14(3)10-11(9-12)5-4-6-11/h4-10H2,1-3H3
InChIKeyHXNZEVYPBXHUNH-UHFFFAOYSA-N
XLogP2.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.05
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

N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 65002615
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine
CID 65009568
N'-[[1-(bromomethyl)cyclopropyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 65013503
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-1-amine
CID 65003333
N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63699135
N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65002076
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine
CID 81062701
N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine
CID 65009362
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65009854
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine
CID 65009190
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81062152
1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416258

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 65009044) is N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CC1(CBr)CCC1.
What is the InChIKey of N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is HXNZEVYPBXHUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2/c1-13(2)7-8-14(3)10-11(9-12)5-4-6-11/h4-10H2,1-3H3.
What are the key properties of N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 263.22 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 65009044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).