2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine

C17H26N2OS — CID 107555875

IUPAC2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCc1ccc(CN(C)Cc2ccc(CNC(C)(C)C)s2)o1
InChIInChI=1S/C17H26N2OS/c1-13-6-7-14(20-13)11-19(5)12-16-9-8-15(21-16)10-18-17(2,3)4/h6-9,18H,10-12H2,1-5H3
InChIKeyVCYJONCWKCRSQJ-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.17
Rot. Bonds6

About 2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107555875) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107555875
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCc1ccc(CN(C)Cc2ccc(CNC(C)(C)C)s2)o1
InChIInChI=1S/C17H26N2OS/c1-13-6-7-14(20-13)11-19(5)12-16-9-8-15(21-16)10-18-17(2,3)4/h6-9,18H,10-12H2,1-5H3
InChIKeyVCYJONCWKCRSQJ-UHFFFAOYSA-N
XLogP4.17
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 573774
2-Furanmethanamine, 5,5'-(1,3-propanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071772
2-Furanmethanamine, 5,5'-(1,4-butanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071773
2-Furanmethanamine, 5,5'-(1,5-pentanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071774
2-Furanmethanamine, 5,5'-(1,6-hexanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071775
2-Furanmethanamine, 5,5'-(1,2-ethanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3088389
5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 4884562
N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 19585268
2-N,5-N-bis(furan-2-ylmethyl)thiophene-2,5-dicarboxamide
CID 2314061
(2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2574961
(E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 2675114

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107555875) is 2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine is Cc1ccc(CN(C)Cc2ccc(CNC(C)(C)C)s2)o1.
What is the InChIKey of 2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is VCYJONCWKCRSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-13-6-7-14(20-13)11-19(5)12-16-9-8-15(21-16)10-18-17(2,3)4/h6-9,18H,10-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 306.48 g/mol, XLogP of 4.17, 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-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107555875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).