N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine

C15H26N2O2 — CID 62391166

IUPACN-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)Cc2ccoc2)CCOCC1
InChIInChI=1S/C15H26N2O2/c1-3-16-12-15(5-8-18-9-6-15)13-17(2)10-14-4-7-19-11-14/h4,7,11,16H,3,5-6,8-10,12-13H2,1-2H3
InChIKeyBVYHKXOOKAUWMJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.12
Rot. Bonds7

About N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine

N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 62391166) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
PubChem CID62391166
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)Cc2ccoc2)CCOCC1
InChIInChI=1S/C15H26N2O2/c1-3-16-12-15(5-8-18-9-6-15)13-17(2)10-14-4-7-19-11-14/h4,7,11,16H,3,5-6,8-10,12-13H2,1-2H3
InChIKeyBVYHKXOOKAUWMJ-UHFFFAOYSA-N
XLogP2.12
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine (CID 62391166) is N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(CN(C)Cc2ccoc2)CCOCC1.
What is the InChIKey of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is BVYHKXOOKAUWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-16-12-15(5-8-18-9-6-15)13-17(2)10-14-4-7-19-11-14/h4,7,11,16H,3,5-6,8-10,12-13H2,1-2H3.
What are the key properties of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 266.38 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62391166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).