2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine

C14H24N2O — CID 60958081

IUPAC2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCC1CC(C)CN(CCNCc2ccco2)C1
InChIInChI=1S/C14H24N2O/c1-12-8-13(2)11-16(10-12)6-5-15-9-14-4-3-7-17-14/h3-4,7,12-13,15H,5-6,8-11H2,1-2H3
InChIKeyCHRNCMMADFDWSL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.35
Rot. Bonds5

About 2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine

2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 60958081) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID60958081
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCC1CC(C)CN(CCNCc2ccco2)C1
InChIInChI=1S/C14H24N2O/c1-12-8-13(2)11-16(10-12)6-5-15-9-14-4-3-7-17-14/h3-4,7,12-13,15H,5-6,8-11H2,1-2H3
InChIKeyCHRNCMMADFDWSL-UHFFFAOYSA-N
XLogP2.35
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63619827
2-(4-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 62556363
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 83221323
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110937460
N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 63504153
2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63163129
4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine
CID 119111356
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
1-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(furan-2-ylmethyl)guanidine
CID 95278707
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine
CID 62566530
N-[(4-bromothiophen-2-yl)methyl]-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 62573736

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine (CID 60958081) is 2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine is CC1CC(C)CN(CCNCc2ccco2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is CHRNCMMADFDWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-8-13(2)11-16(10-12)6-5-15-9-14-4-3-7-17-14/h3-4,7,12-13,15H,5-6,8-11H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 60958081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).