N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine

C13H21NO2 — CID 79915639

IUPACN-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCc2ccco2)C(C)(C)O1
InChIInChI=1S/C13H21NO2/c1-12(2)8-11(13(3,4)16-12)14-9-10-6-5-7-15-10/h5-7,11,14H,8-9H2,1-4H3
InChIKeyURRBMTKAOPYNGH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.72
Rot. Bonds3

About N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine

N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79915639) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79915639
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCc2ccco2)C(C)(C)O1
InChIInChI=1S/C13H21NO2/c1-12(2)8-11(13(3,4)16-12)14-9-10-6-5-7-15-10/h5-7,11,14H,8-9H2,1-4H3
InChIKeyURRBMTKAOPYNGH-UHFFFAOYSA-N
XLogP2.72
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5,5-tetramethyl-N-(naphthalen-1-ylmethyl)oxolan-3-amine
CID 79911054
2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine
CID 79918908
(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865
N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 2863086
(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753866
N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79928164
2,2,5,5-tetramethyl-N-[(2-methylpyrimidin-4-yl)methyl]oxolan-3-amine
CID 79928842
3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 105134916
4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pyridin-2-amine
CID 136535179
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79911557
2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 79911059
2,2,5,5-tetramethyl-N-[(6-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 79928608

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 79915639) is N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)CC(NCc2ccco2)C(C)(C)O1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is URRBMTKAOPYNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-12(2)8-11(13(3,4)16-12)14-9-10-6-5-7-15-10/h5-7,11,14H,8-9H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 223.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79915639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).