2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine

C17H26N2OS — CID 62431007

IUPAC2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
SMILESCC(c1cccs1)N(C)Cc1cc(CNC(C)(C)C)co1
InChIInChI=1S/C17H26N2OS/c1-13(16-7-6-8-21-16)19(5)11-15-9-14(12-20-15)10-18-17(2,3)4/h6-9,12-13,18H,10-11H2,1-5H3
InChIKeyNESXWZFAICLFGP-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.42
Rot. Bonds6

About 2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine

2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62431007) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62431007
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
SMILESCC(c1cccs1)N(C)Cc1cc(CNC(C)(C)C)co1
InChIInChI=1S/C17H26N2OS/c1-13(16-7-6-8-21-16)19(5)11-15-9-14(12-20-15)10-18-17(2,3)4/h6-9,12-13,18H,10-11H2,1-5H3
InChIKeyNESXWZFAICLFGP-UHFFFAOYSA-N
XLogP4.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine (CID 62431007) is 2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine is CC(c1cccs1)N(C)Cc1cc(CNC(C)(C)C)co1.
What is the InChIKey of 2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is NESXWZFAICLFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-13(16-7-6-8-21-16)19(5)11-15-9-14(12-20-15)10-18-17(2,3)4/h6-9,12-13,18H,10-11H2,1-5H3.
What are the key properties of 2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 306.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62431007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).