2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine

C16H27NO3 — CID 62444899

IUPAC2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccoc1COCC1CCCCO1
InChIInChI=1S/C16H27NO3/c1-16(2,3)17-10-13-7-9-20-15(13)12-18-11-14-6-4-5-8-19-14/h7,9,14,17H,4-6,8,10-12H2,1-3H3
InChIKeyHTSDFDKOENGMOT-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.25
Rot. Bonds6

About 2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine

2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine (PubChem CID 62444899) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
PubChem CID62444899
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccoc1COCC1CCCCO1
InChIInChI=1S/C16H27NO3/c1-16(2,3)17-10-13-7-9-20-15(13)12-18-11-14-6-4-5-8-19-14/h7,9,14,17H,4-6,8,10-12H2,1-3H3
InChIKeyHTSDFDKOENGMOT-UHFFFAOYSA-N
XLogP3.25
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444617
N-[[2-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444616
[3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62443550
N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62455635
N-[[2-(hexoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62456817
2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115954254
1-[2-(cyclopentylmethoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66321220
N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62440911
[3-(oxolan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62444972
2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444249
N-[[3-(cyclopentyloxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 55072771
N-[[2-(cyclopentylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66323355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine (CID 62444899) is 2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine is CC(C)(C)NCc1ccoc1COCC1CCCCO1.
What is the InChIKey of 2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine?
The InChIKey is HTSDFDKOENGMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-16(2,3)17-10-13-7-9-20-15(13)12-18-11-14-6-4-5-8-19-14/h7,9,14,17H,4-6,8,10-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62444899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).