N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine

C13H23NO2 — CID 115710834

IUPACN-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine
SMILESCOCc1ccc(CNC(C)C(C)(C)C)o1
InChIInChI=1S/C13H23NO2/c1-10(13(2,3)4)14-8-11-6-7-12(16-11)9-15-5/h6-7,10,14H,8-9H2,1-5H3
InChIKeyATXZTABDFCYFNM-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.95
Rot. Bonds5

About N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine

N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine (PubChem CID 115710834) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine
PubChem CID115710834
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine
SMILESCOCc1ccc(CNC(C)C(C)(C)C)o1
InChIInChI=1S/C13H23NO2/c1-10(13(2,3)4)14-8-11-6-7-12(16-11)9-15-5/h6-7,10,14H,8-9H2,1-5H3
InChIKeyATXZTABDFCYFNM-UHFFFAOYSA-N
XLogP2.95
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine
CID 115710576
3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol
CID 115710985
N-[[5-(methoxymethyl)furan-2-yl]methyl]-4-methylpentan-1-amine
CID 115710483
2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol
CID 12655820
3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 115710392
N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine
CID 115735525
3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol
CID 115710395
[5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol
CID 96569409
N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrazol-3-amine
CID 115711122
N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylcyclobutan-1-amine
CID 115711073
N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047799
N-[[5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444595

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine (CID 115710834) is N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine is COCc1ccc(CNC(C)C(C)(C)C)o1.
What is the InChIKey of N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine?
The InChIKey is ATXZTABDFCYFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(13(2,3)4)14-8-11-6-7-12(16-11)9-15-5/h6-7,10,14H,8-9H2,1-5H3.
What are the key properties of N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine?
N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine has a molecular weight of 225.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)furan-2-yl]methyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 115710834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).