1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine

C16H26N2O — CID 116913049

IUPAC1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N(C)C)C2(CN)COC2)cc1C
InChIInChI=1S/C16H26N2O/c1-11-6-13(3)14(7-12(11)2)15(18(4)5)16(8-17)9-19-10-16/h6-7,15H,8-10,17H2,1-5H3
InChIKeyJIKUKXHFZSXLGY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.19
Rot. Bonds4

About 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine

1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 116913049) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID116913049
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N(C)C)C2(CN)COC2)cc1C
InChIInChI=1S/C16H26N2O/c1-11-6-13(3)14(7-12(11)2)15(18(4)5)16(8-17)9-19-10-16/h6-7,15H,8-10,17H2,1-5H3
InChIKeyJIKUKXHFZSXLGY-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine (CID 116913049) is 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N(C)C)C2(CN)COC2)cc1C.
What is the InChIKey of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is JIKUKXHFZSXLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-6-13(3)14(7-12(11)2)15(18(4)5)16(8-17)9-19-10-16/h6-7,15H,8-10,17H2,1-5H3.
What are the key properties of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine?
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 116913049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).