N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine

C13H22N2OS — CID 113310226

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine
SMILESCc1cscc1CNCC1(CN)CCOCC1
InChIInChI=1S/C13H22N2OS/c1-11-7-17-8-12(11)6-15-10-13(9-14)2-4-16-5-3-13/h7-8,15H,2-6,9-10,14H2,1H3
InChIKeyAARAMPALZJCYEC-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.90
Rot. Bonds5

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine (PubChem CID 113310226) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine
PubChem CID113310226
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine
SMILESCc1cscc1CNCC1(CN)CCOCC1
InChIInChI=1S/C13H22N2OS/c1-11-7-17-8-12(11)6-15-10-13(9-14)2-4-16-5-3-13/h7-8,15H,2-6,9-10,14H2,1H3
InChIKeyAARAMPALZJCYEC-UHFFFAOYSA-N
XLogP1.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)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 N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine (CID 113310226) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine is Cc1cscc1CNCC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine?
The InChIKey is AARAMPALZJCYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-11-7-17-8-12(11)6-15-10-13(9-14)2-4-16-5-3-13/h7-8,15H,2-6,9-10,14H2,1H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine has a molecular weight of 254.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 113310226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).