N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine

C13H22N2O2 — CID 82753990

IUPACN-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine
SMILESCCNCc1ccoc1CN(C)C1CCOC1
InChIInChI=1S/C13H22N2O2/c1-3-14-8-11-4-7-17-13(11)9-15(2)12-5-6-16-10-12/h4,7,12,14H,3,5-6,8-10H2,1-2H3
InChIKeyMSHJBRBSJUEEND-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds6

About N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine

N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine (PubChem CID 82753990) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine
PubChem CID82753990
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine
SMILESCCNCc1ccoc1CN(C)C1CCOC1
InChIInChI=1S/C13H22N2O2/c1-3-14-8-11-4-7-17-13(11)9-15(2)12-5-6-16-10-12/h4,7,12,14H,3,5-6,8-10H2,1-2H3
InChIKeyMSHJBRBSJUEEND-UHFFFAOYSA-N
XLogP1.61
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine (CID 82753990) is N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine is CCNCc1ccoc1CN(C)C1CCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine?
The InChIKey is MSHJBRBSJUEEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-14-8-11-4-7-17-13(11)9-15(2)12-5-6-16-10-12/h4,7,12,14H,3,5-6,8-10H2,1-2H3.
What are the key properties of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine?
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82753990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).