N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine

C12H21NO2 — CID 115667010

IUPACN-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(CNCc1ccoc1)C(C)(C)C
InChIInChI=1S/C12H21NO2/c1-12(2,3)11(14-4)8-13-7-10-5-6-15-9-10/h5-6,9,11,13H,7-8H2,1-4H3
InChIKeyRSSFRGKJWRKKIM-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.43
Rot. Bonds5

About N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine

N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 115667010) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID115667010
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(CNCc1ccoc1)C(C)(C)C
InChIInChI=1S/C12H21NO2/c1-12(2,3)11(14-4)8-13-7-10-5-6-15-9-10/h5-6,9,11,13H,7-8H2,1-4H3
InChIKeyRSSFRGKJWRKKIM-UHFFFAOYSA-N
XLogP2.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623547
2-methoxy-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butan-1-amine
CID 115686359
N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine
CID 102700858
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63982151
2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine
CID 115667004
(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol
CID 104874092
methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate
CID 103267901
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate
CID 103700823
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine (CID 115667010) is N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine is COC(CNCc1ccoc1)C(C)(C)C.
What is the InChIKey of N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is RSSFRGKJWRKKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)11(14-4)8-13-7-10-5-6-15-9-10/h5-6,9,11,13H,7-8H2,1-4H3.
What are the key properties of N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine?
N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 211.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 115667010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).