N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine

C16H31N3O — CID 102997544

IUPACN'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine
SMILESCCNCc1oc(CN(CC)CCCN(C)C)cc1C
InChIInChI=1S/C16H31N3O/c1-6-17-12-16-14(3)11-15(20-16)13-19(7-2)10-8-9-18(4)5/h11,17H,6-10,12-13H2,1-5H3
InChIKeyFMUDFUHZTUCYPH-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.47
Rot. Bonds10

About N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine

N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine (PubChem CID 102997544) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine
PubChem CID102997544
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine
SMILESCCNCc1oc(CN(CC)CCCN(C)C)cc1C
InChIInChI=1S/C16H31N3O/c1-6-17-12-16-14(3)11-15(20-16)13-19(7-2)10-8-9-18(4)5/h11,17H,6-10,12-13H2,1-5H3
InChIKeyFMUDFUHZTUCYPH-UHFFFAOYSA-N
XLogP2.47
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62439896
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55074830
N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]propan-1-amine
CID 62430415
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 63965893
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine
CID 55072592
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421419
N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 63864021
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62426427
N-ethyl-2-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62417469
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62411847
N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine
CID 102997637
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63939305

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine (CID 102997544) is N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine is CCNCc1oc(CN(CC)CCCN(C)C)cc1C.
What is the InChIKey of N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine?
The InChIKey is FMUDFUHZTUCYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-17-12-16-14(3)11-15(20-16)13-19(7-2)10-8-9-18(4)5/h11,17H,6-10,12-13H2,1-5H3.
What are the key properties of N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine?
N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine has a molecular weight of 281.44 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102997544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).