N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine

C14H26N2S — CID 80727269

IUPACN-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine
SMILESCCN(CC)Cc1cc(CNC(C)C)sc1C
InChIInChI=1S/C14H26N2S/c1-6-16(7-2)10-13-8-14(17-12(13)5)9-15-11(3)4/h8,11,15H,6-7,9-10H2,1-5H3
InChIKeyLNLIOXKPDXHYOS-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.40
Rot. Bonds7

About N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine

N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine (PubChem CID 80727269) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine
PubChem CID80727269
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine
SMILESCCN(CC)Cc1cc(CNC(C)C)sc1C
InChIInChI=1S/C14H26N2S/c1-6-16(7-2)10-13-8-14(17-12(13)5)9-15-11(3)4/h8,11,15H,6-7,9-10H2,1-5H3
InChIKeyLNLIOXKPDXHYOS-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine (CID 80727269) is N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine is CCN(CC)Cc1cc(CNC(C)C)sc1C.
What is the InChIKey of N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine?
The InChIKey is LNLIOXKPDXHYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-6-16(7-2)10-13-8-14(17-12(13)5)9-15-11(3)4/h8,11,15H,6-7,9-10H2,1-5H3.
What are the key properties of N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine?
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine has a molecular weight of 254.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80727269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).