N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine

C17H24N2OS — CID 62411511

IUPACN-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESCCNCc1cc(CN(Cc2cccs2)C2CC2)c(C)o1
InChIInChI=1S/C17H24N2OS/c1-3-18-10-16-9-14(13(2)20-16)11-19(15-6-7-15)12-17-5-4-8-21-17/h4-5,8-9,15,18H,3,6-7,10-12H2,1-2H3
InChIKeyJLOCWPXGYRQNDD-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.92
Rot. Bonds8

About N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine

N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine (PubChem CID 62411511) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
PubChem CID62411511
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESCCNCc1cc(CN(Cc2cccs2)C2CC2)c(C)o1
InChIInChI=1S/C17H24N2OS/c1-3-18-10-16-9-14(13(2)20-16)11-19(15-6-7-15)12-17-5-4-8-21-17/h4-5,8-9,15,18H,3,6-7,10-12H2,1-2H3
InChIKeyJLOCWPXGYRQNDD-UHFFFAOYSA-N
XLogP3.92
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62431881
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methyloxan-4-amine
CID 55073992
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62425746
N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 55069331
N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61449230
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430229
N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80631053
N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62430378
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 80730218
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
N-[[4-[[cyclopropyl(propyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421982
N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine
CID 62424477

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine (CID 62411511) is N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine is CCNCc1cc(CN(Cc2cccs2)C2CC2)c(C)o1.
What is the InChIKey of N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The InChIKey is JLOCWPXGYRQNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-18-10-16-9-14(13(2)20-16)11-19(15-6-7-15)12-17-5-4-8-21-17/h4-5,8-9,15,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine has a molecular weight of 304.46 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 62411511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).