N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine

C12H22BrNO — CID 65009471

IUPACN-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCN(CC1CCCO1)CC1(CBr)CCC1
InChIInChI=1S/C12H22BrNO/c1-14(8-11-4-2-7-15-11)10-12(9-13)5-3-6-12/h11H,2-10H2,1H3
InChIKeyRYDQWPFKIMPVHX-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.66
Rot. Bonds5

About N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine

N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 65009471) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID65009471
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCN(CC1CCCO1)CC1(CBr)CCC1
InChIInChI=1S/C12H22BrNO/c1-14(8-11-4-2-7-15-11)10-12(9-13)5-3-6-12/h11H,2-10H2,1H3
InChIKeyRYDQWPFKIMPVHX-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.66
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 N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine (CID 65009471) is N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine is CN(CC1CCCO1)CC1(CBr)CCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is RYDQWPFKIMPVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-14(8-11-4-2-7-15-11)10-12(9-13)5-3-6-12/h11H,2-10H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 276.22 g/mol, XLogP of 2.66, 5 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-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 65009471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).