(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine

C12H19NO2 — CID 753866

IUPAC(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)C[C@H](NCc2ccco2)CCO1
InChIInChI=1S/C12H19NO2/c1-12(2)8-10(5-7-15-12)13-9-11-4-3-6-14-11/h3-4,6,10,13H,5,7-9H2,1-2H3/t10-/m1/s1
InChIKeyXRTVEWAIEMXKTN-SNVBAGLBSA-N
MW209.29 g/mol
LogP2.33
Rot. Bonds3

About (4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine

(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine (PubChem CID 753866) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound Name(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
PubChem CID753866
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)C[C@H](NCc2ccco2)CCO1
InChIInChI=1S/C12H19NO2/c1-12(2)8-10(5-7-15-12)13-9-11-4-3-6-14-11/h3-4,6,10,13H,5,7-9H2,1-2H3/t10-/m1/s1
InChIKeyXRTVEWAIEMXKTN-SNVBAGLBSA-N
XLogP2.33
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865
N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 2863086
N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563697
N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915639
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563698
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
CID 115563696
3-[[(2,2-dimethyloxan-4-yl)amino]methyl]benzoic acid
CID 103261138
N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine
CID 115563782
N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 78960182
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 106369246

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine?
The IUPAC name of (4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine (CID 753866) is (4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for (4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for (4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine is CC1(C)C[C@H](NCc2ccco2)CCO1.
What is the InChIKey of (4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine?
The InChIKey is XRTVEWAIEMXKTN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2)8-10(5-7-15-12)13-9-11-4-3-6-14-11/h3-4,6,10,13H,5,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine?
(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine has a molecular weight of 209.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 753866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).