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

C13H25BrN2 — CID 105416258

IUPAC1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CC1(CBr)CC1)CC1(N(C)C)CCC1
InChIInChI=1S/C13H25BrN2/c1-15(2)13(5-4-6-13)11-16(3)10-12(9-14)7-8-12/h4-11H2,1-3H3
InChIKeyCFKHJQLAKUBDCD-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.58
Rot. Bonds6

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

1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105416258) has the molecular formula C13H25BrN2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105416258
Molecular FormulaC13H25BrN2
Molecular Weight289.26 g/mol
Exact Mass288.12
IUPAC Name1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CC1(CBr)CC1)CC1(N(C)C)CCC1
InChIInChI=1S/C13H25BrN2/c1-15(2)13(5-4-6-13)11-16(3)10-12(9-14)7-8-12/h4-11H2,1-3H3
InChIKeyCFKHJQLAKUBDCD-UHFFFAOYSA-N
XLogP2.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.58
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)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65009044
N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65009684
N'-[[1-(bromomethyl)cyclopropyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65013449
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclobutyl-N-methylmethanamine
CID 65013676
N'-[[1-(bromomethyl)cyclopropyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65014186
2-N-[[1-(bromomethyl)cyclobutyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190635
2-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190641
1-[[(3-bromo-2,2-dimethylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416251
1-[[[1-(bromomethyl)cyclobutyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416252
1-[[(3-bromo-2-methylpropyl)-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416253
1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416257
1-[[2-(bromomethyl)pentyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416259

Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105416258) is 1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(CC1(CBr)CC1)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is CFKHJQLAKUBDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN2/c1-15(2)13(5-4-6-13)11-16(3)10-12(9-14)7-8-12/h4-11H2,1-3H3.
What are the key properties of 1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 289.26 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105416258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).