N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine

C13H24N4O — CID 105417545

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine
SMILESCNCc1coc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C13H24N4O/c1-14-8-11-9-18-12(15-11)17(4)10-13(16(2)3)6-5-7-13/h9,14H,5-8,10H2,1-4H3
InChIKeyXTPAMKGWPSGGPS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.31
Rot. Bonds6

About N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine (PubChem CID 105417545) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine
PubChem CID105417545
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine
SMILESCNCc1coc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C13H24N4O/c1-14-8-11-9-18-12(15-11)17(4)10-13(16(2)3)6-5-7-13/h9,14H,5-8,10H2,1-4H3
InChIKeyXTPAMKGWPSGGPS-UHFFFAOYSA-N
XLogP1.31
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine (CID 105417545) is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine is CNCc1coc(N(C)CC2(N(C)C)CCC2)n1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine?
The InChIKey is XTPAMKGWPSGGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-14-8-11-9-18-12(15-11)17(4)10-13(16(2)3)6-5-7-13/h9,14H,5-8,10H2,1-4H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 105417545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).