N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine

C16H28N2O — CID 55073687

IUPACN-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCC(C)CC2C)c(C)o1
InChIInChI=1S/C16H28N2O/c1-5-17-10-16-9-15(14(4)19-16)11-18-7-6-12(2)8-13(18)3/h9,12-13,17H,5-8,10-11H2,1-4H3
InChIKeyMHYIZJRTEHANNM-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.32
Rot. Bonds5

About N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine

N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine (PubChem CID 55073687) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
PubChem CID55073687
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCC(C)CC2C)c(C)o1
InChIInChI=1S/C16H28N2O/c1-5-17-10-16-9-15(14(4)19-16)11-18-7-6-12(2)8-13(18)3/h9,12-13,17H,5-8,10-11H2,1-4H3
InChIKeyMHYIZJRTEHANNM-UHFFFAOYSA-N
XLogP3.32
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62431060
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62431233
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62427660
N-[[5-[(2,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62431577
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62430351
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55074153
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430229
N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 102968207
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62425746
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412465
N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62411545
N-[[5-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 55257484

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine (CID 55073687) is N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine is CCNCc1cc(CN2CCC(C)CC2C)c(C)o1.
What is the InChIKey of N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The InChIKey is MHYIZJRTEHANNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-17-10-16-9-15(14(4)19-16)11-18-7-6-12(2)8-13(18)3/h9,12-13,17H,5-8,10-11H2,1-4H3.
What are the key properties of N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine has a molecular weight of 264.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 55073687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).