N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine

C15H28N2O — CID 63965893

IUPACN-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCNCc1oc(CN(C)C(C)(C)CC)cc1C
InChIInChI=1S/C15H28N2O/c1-7-15(4,5)17(6)11-13-9-12(3)14(18-13)10-16-8-2/h9,16H,7-8,10-11H2,1-6H3
InChIKeyWFMIBKNSHLPJCP-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.32
Rot. Bonds7

About N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine

N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine (PubChem CID 63965893) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine
PubChem CID63965893
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCNCc1oc(CN(C)C(C)(C)CC)cc1C
InChIInChI=1S/C15H28N2O/c1-7-15(4,5)17(6)11-13-9-12(3)14(18-13)10-16-8-2/h9,16H,7-8,10-11H2,1-6H3
InChIKeyWFMIBKNSHLPJCP-UHFFFAOYSA-N
XLogP3.32
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine (CID 63965893) is N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine is CCNCc1oc(CN(C)C(C)(C)CC)cc1C.
What is the InChIKey of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine?
The InChIKey is WFMIBKNSHLPJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-7-15(4,5)17(6)11-13-9-12(3)14(18-13)10-16-8-2/h9,16H,7-8,10-11H2,1-6H3.
What are the key properties of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine?
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine has a molecular weight of 252.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 63965893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).