2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine

C14H24N2O — CID 117021440

IUPAC2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine
SMILESCC1(C)CCC(CCN)CN1Cc1ccco1
InChIInChI=1S/C14H24N2O/c1-14(2)7-5-12(6-8-15)10-16(14)11-13-4-3-9-17-13/h3-4,9,12H,5-8,10-11,15H2,1-2H3
InChIKeyHNCJFLRVEUIWLH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.62
Rot. Bonds4

About 2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine

2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine (PubChem CID 117021440) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine
PubChem CID117021440
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine
SMILESCC1(C)CCC(CCN)CN1Cc1ccco1
InChIInChI=1S/C14H24N2O/c1-14(2)7-5-12(6-8-15)10-16(14)11-13-4-3-9-17-13/h3-4,9,12H,5-8,10-11,15H2,1-2H3
InChIKeyHNCJFLRVEUIWLH-UHFFFAOYSA-N
XLogP2.62
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(furan-2-ylmethyl)-5,5-dimethylpyrrolidin-3-yl]acetonitrile
CID 117018591
2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine
CID 117021450
[1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine
CID 117019699
2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol
CID 117021321
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 114802131
4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020065
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470
3-ethyl-1-(furan-2-ylmethyl)cyclopentan-1-amine
CID 65422690
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
1-(furan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 83171205

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine (CID 117021440) is 2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine is CC1(C)CCC(CCN)CN1Cc1ccco1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine?
The InChIKey is HNCJFLRVEUIWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2)7-5-12(6-8-15)10-16(14)11-13-4-3-9-17-13/h3-4,9,12H,5-8,10-11,15H2,1-2H3.
What are the key properties of 2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine?
2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)-6,6-dimethylpiperidin-3-yl]ethanamine is sourced from PubChem (CID 117021440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).