N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine

C13H22N2O2 — CID 62431237

IUPACN-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(CN)o1)CC1CCCO1
InChIInChI=1S/C13H22N2O2/c1-2-15(9-12-4-3-7-16-12)10-13-6-5-11(8-14)17-13/h5-6,12H,2-4,7-10,14H2,1H3
InChIKeyLPJVIHZBBARYFI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.74
Rot. Bonds6

About N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine

N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 62431237) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID62431237
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(CN)o1)CC1CCCO1
InChIInChI=1S/C13H22N2O2/c1-2-15(9-12-4-3-7-16-12)10-13-6-5-11(8-14)17-13/h5-6,12H,2-4,7-10,14H2,1H3
InChIKeyLPJVIHZBBARYFI-UHFFFAOYSA-N
XLogP1.74
TPSA51.63 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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62894833
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62429825
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62182826
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433743
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62430054
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
CID 107208296
N-[(3-bromophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646761
N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
CID 61433987

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine (CID 62431237) is N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine is CCN(Cc1ccc(CN)o1)CC1CCCO1.
What is the InChIKey of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is LPJVIHZBBARYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-15(9-12-4-3-7-16-12)10-13-6-5-11(8-14)17-13/h5-6,12H,2-4,7-10,14H2,1H3.
What are the key properties of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62431237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).