N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine

C17H24N2O2 — CID 62413633

IUPACN-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
SMILESCCNCc1oc(CN(Cc2ccco2)C2CC2)cc1C
InChIInChI=1S/C17H24N2O2/c1-3-18-10-17-13(2)9-16(21-17)12-19(14-6-7-14)11-15-5-4-8-20-15/h4-5,8-9,14,18H,3,6-7,10-12H2,1-2H3
InChIKeyHAVKHJYZZFNCOZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.46
Rot. Bonds8

About N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine

N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine (PubChem CID 62413633) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
PubChem CID62413633
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
SMILESCCNCc1oc(CN(Cc2ccco2)C2CC2)cc1C
InChIInChI=1S/C17H24N2O2/c1-3-18-10-17-13(2)9-16(21-17)12-19(14-6-7-14)11-15-5-4-8-20-15/h4-5,8-9,14,18H,3,6-7,10-12H2,1-2H3
InChIKeyHAVKHJYZZFNCOZ-UHFFFAOYSA-N
XLogP3.46
TPSA41.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62412040
N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259205
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62411847
N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]propan-1-amine
CID 62430415
N-methyl-N-[[4-methyl-5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62418553
N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 63864021
2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
CID 81143889
N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine
CID 62428779
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80658148
N-ethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62425039
N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62430378
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 107453632

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine (CID 62413633) is N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine is CCNCc1oc(CN(Cc2ccco2)C2CC2)cc1C.
What is the InChIKey of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The InChIKey is HAVKHJYZZFNCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-18-10-17-13(2)9-16(21-17)12-19(14-6-7-14)11-15-5-4-8-20-15/h4-5,8-9,14,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine has a molecular weight of 288.39 g/mol, XLogP of 3.46, 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-(furan-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 62413633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).