N,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine

C16H30N2O — CID 62435355

IUPACN,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine
SMILESCCNCc1ccc(CN(CC)CC(CC)CC)o1
InChIInChI=1S/C16H30N2O/c1-5-14(6-2)12-18(8-4)13-16-10-9-15(19-16)11-17-7-3/h9-10,14,17H,5-8,11-13H2,1-4H3
InChIKeyPOMXTTGHXDCWEV-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.65
Rot. Bonds10

About N,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine

N,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine (PubChem CID 62435355) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine
PubChem CID62435355
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine
SMILESCCNCc1ccc(CN(CC)CC(CC)CC)o1
InChIInChI=1S/C16H30N2O/c1-5-14(6-2)12-18(8-4)13-16-10-9-15(19-16)11-17-7-3/h9-10,14,17H,5-8,11-13H2,1-4H3
InChIKeyPOMXTTGHXDCWEV-UHFFFAOYSA-N
XLogP3.65
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpropan-2-amine
CID 62424825
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62461260
N-ethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-1-methoxypropan-2-amine
CID 62427043
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 62461555
N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine
CID 102997637
N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
CID 62436234
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine
CID 62434036
1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 55081357
N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
CID 62412356
N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine
CID 62436417
1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine
CID 62983851
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
CID 79470714

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine?
The IUPAC name of N,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine (CID 62435355) is N,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine?
The canonical SMILES for N,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine is CCNCc1ccc(CN(CC)CC(CC)CC)o1.
What is the InChIKey of N,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine?
The InChIKey is POMXTTGHXDCWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-14(6-2)12-18(8-4)13-16-10-9-15(19-16)11-17-7-3/h9-10,14,17H,5-8,11-13H2,1-4H3.
What are the key properties of N,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine?
N,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 62435355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).