N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine

C13H22N2O — CID 62574262

IUPACN-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(CCNCc2ccoc2)C1
InChIInChI=1S/C13H22N2O/c1-12-3-2-6-15(10-12)7-5-14-9-13-4-8-16-11-13/h4,8,11-12,14H,2-3,5-7,9-10H2,1H3
InChIKeyAROLQNDSZNTFSO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.10
Rot. Bonds5

About N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine

N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine (PubChem CID 62574262) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine
PubChem CID62574262
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(CCNCc2ccoc2)C1
InChIInChI=1S/C13H22N2O/c1-12-3-2-6-15(10-12)7-5-14-9-13-4-8-16-11-13/h4,8,11-12,14H,2-3,5-7,9-10H2,1H3
InChIKeyAROLQNDSZNTFSO-UHFFFAOYSA-N
XLogP2.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine (CID 62574262) is N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine is CC1CCCN(CCNCc2ccoc2)C1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine?
The InChIKey is AROLQNDSZNTFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12-3-2-6-15(10-12)7-5-14-9-13-4-8-16-11-13/h4,8,11-12,14H,2-3,5-7,9-10H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine?
N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62574262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).