N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine

C14H23NO2S — CID 80734122

IUPACN-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine
SMILESCNCc1cc(COCC2CCOCC2)c(C)s1
InChIInChI=1S/C14H23NO2S/c1-11-13(7-14(18-11)8-15-2)10-17-9-12-3-5-16-6-4-12/h7,12,15H,3-6,8-10H2,1-2H3
InChIKeyVHJUZHZGPWZMGB-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.72
Rot. Bonds6

About N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine

N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine (PubChem CID 80734122) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine
PubChem CID80734122
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine
SMILESCNCc1cc(COCC2CCOCC2)c(C)s1
InChIInChI=1S/C14H23NO2S/c1-11-13(7-14(18-11)8-15-2)10-17-9-12-3-5-16-6-4-12/h7,12,15H,3-6,8-10H2,1-2H3
InChIKeyVHJUZHZGPWZMGB-UHFFFAOYSA-N
XLogP2.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine (CID 80734122) is N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine is CNCc1cc(COCC2CCOCC2)c(C)s1.
What is the InChIKey of N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine?
The InChIKey is VHJUZHZGPWZMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-11-13(7-14(18-11)8-15-2)10-17-9-12-3-5-16-6-4-12/h7,12,15H,3-6,8-10H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine?
N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine has a molecular weight of 269.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 80734122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).