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

C16H30N2O — CID 55072592

IUPACN-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine
SMILESCCNCc1oc(CN(C)C(C)CC(C)C)cc1C
InChIInChI=1S/C16H30N2O/c1-7-17-10-16-13(4)9-15(19-16)11-18(6)14(5)8-12(2)3/h9,12,14,17H,7-8,10-11H2,1-6H3
InChIKeyXSPKMLSDRUCKOT-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.56
Rot. Bonds8

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

N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine (PubChem CID 55072592) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine
PubChem CID55072592
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine
SMILESCCNCc1oc(CN(C)C(C)CC(C)C)cc1C
InChIInChI=1S/C16H30N2O/c1-7-17-10-16-13(4)9-15(19-16)11-18(6)14(5)8-12(2)3/h9,12,14,17H,7-8,10-11H2,1-6H3
InChIKeyXSPKMLSDRUCKOT-UHFFFAOYSA-N
XLogP3.56
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62461260
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 63965893
N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62420927
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62439896
N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine
CID 102997544
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 62462708
N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 63864021
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]ethanamine
CID 106449758
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62411847
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55074830
N-methyl-N-[[4-methyl-5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62418553
N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
CID 62456796

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine (CID 55072592) is N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine is CCNCc1oc(CN(C)C(C)CC(C)C)cc1C.
What is the InChIKey of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine?
The InChIKey is XSPKMLSDRUCKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-7-17-10-16-13(4)9-15(19-16)11-18(6)14(5)8-12(2)3/h9,12,14,17H,7-8,10-11H2,1-6H3.
What are the key properties of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine?
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine has a molecular weight of 266.43 g/mol, XLogP of 3.56, 8 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,4-dimethylpentan-2-amine is sourced from PubChem (CID 55072592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).