N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine

C14H24N2OS — CID 55066041

IUPACN-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine
SMILESCNCC1(CN(C)Cc2ccsc2)CCOCC1
InChIInChI=1S/C14H24N2OS/c1-15-11-14(4-6-17-7-5-14)12-16(2)9-13-3-8-18-10-13/h3,8,10,15H,4-7,9,11-12H2,1-2H3
InChIKeyWVNOOGJZZBQQLQ-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.20
Rot. Bonds6

About N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine

N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine (PubChem CID 55066041) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine
PubChem CID55066041
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine
SMILESCNCC1(CN(C)Cc2ccsc2)CCOCC1
InChIInChI=1S/C14H24N2OS/c1-15-11-14(4-6-17-7-5-14)12-16(2)9-13-3-8-18-10-13/h3,8,10,15H,4-7,9,11-12H2,1-2H3
InChIKeyWVNOOGJZZBQQLQ-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine (CID 55066041) is N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine is CNCC1(CN(C)Cc2ccsc2)CCOCC1.
What is the InChIKey of N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is WVNOOGJZZBQQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-15-11-14(4-6-17-7-5-14)12-16(2)9-13-3-8-18-10-13/h3,8,10,15H,4-7,9,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine?
N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 268.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 55066041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).