1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C15H31BrN2 — CID 105416257

IUPAC1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCCC(CC)(CBr)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H31BrN2/c1-6-14(7-2,11-16)12-18(5)13-15(17(3)4)9-8-10-15/h6-13H2,1-5H3
InChIKeyQXBLOGCYMXEXLB-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.60
Rot. Bonds8

About 1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105416257) has the molecular formula C15H31BrN2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105416257
Molecular FormulaC15H31BrN2
Molecular Weight319.33 g/mol
Exact Mass318.17
IUPAC Name1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCCC(CC)(CBr)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H31BrN2/c1-6-14(7-2,11-16)12-18(5)13-15(17(3)4)9-8-10-15/h6-13H2,1-5H3
InChIKeyQXBLOGCYMXEXLB-UHFFFAOYSA-N
XLogP3.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.60
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-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105416257) is 1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CCC(CC)(CBr)CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is QXBLOGCYMXEXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BrN2/c1-6-14(7-2,11-16)12-18(5)13-15(17(3)4)9-8-10-15/h6-13H2,1-5H3.
What are the key properties of 1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 319.33 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105416257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).