N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine

C17H26N2OS — CID 62462708

IUPACN-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCCNCc1oc(CN(Cc2cccs2)C(C)C)cc1C
InChIInChI=1S/C17H26N2OS/c1-5-18-10-17-14(4)9-15(20-17)11-19(13(2)3)12-16-7-6-8-21-16/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyLSAWPUQKCHLACC-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.17
Rot. Bonds8

About N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine

N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine (PubChem CID 62462708) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
PubChem CID62462708
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCCNCc1oc(CN(Cc2cccs2)C(C)C)cc1C
InChIInChI=1S/C17H26N2OS/c1-5-18-10-17-14(4)9-15(20-17)11-19(13(2)3)12-16-7-6-8-21-16/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyLSAWPUQKCHLACC-UHFFFAOYSA-N
XLogP4.17
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

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Related Compounds

N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 62461456
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine
CID 55072592
N-ethyl-2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62463231
N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258772
1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463458
N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62418328
5-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971319
5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 63551371
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62439896
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 107556485
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411511

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine (CID 62462708) is N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine is CCNCc1oc(CN(Cc2cccs2)C(C)C)cc1C.
What is the InChIKey of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The InChIKey is LSAWPUQKCHLACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-5-18-10-17-14(4)9-15(20-17)11-19(13(2)3)12-16-7-6-8-21-16/h6-9,13,18H,5,10-12H2,1-4H3.
What are the key properties of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine has a molecular weight of 306.48 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 62462708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).