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

C13H22N2O — CID 117019699

IUPAC[1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine
SMILESCC1(C)C(CN)CCCN1Cc1ccco1
InChIInChI=1S/C13H22N2O/c1-13(2)11(9-14)5-3-7-15(13)10-12-6-4-8-16-12/h4,6,8,11H,3,5,7,9-10,14H2,1-2H3
InChIKeyMVZCMBUUWIXFLO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.23
Rot. Bonds3

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

[1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine (PubChem CID 117019699) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine
PubChem CID117019699
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine
SMILESCC1(C)C(CN)CCCN1Cc1ccco1
InChIInChI=1S/C13H22N2O/c1-13(2)11(9-14)5-3-7-15(13)10-12-6-4-8-16-12/h4,6,8,11H,3,5,7,9-10,14H2,1-2H3
InChIKeyMVZCMBUUWIXFLO-UHFFFAOYSA-N
XLogP2.23
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine (CID 117019699) is [1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine is CC1(C)C(CN)CCCN1Cc1ccco1.
What is the InChIKey of [1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine?
The InChIKey is MVZCMBUUWIXFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2)11(9-14)5-3-7-15(13)10-12-6-4-8-16-12/h4,6,8,11H,3,5,7,9-10,14H2,1-2H3.
What are the key properties of [1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine?
[1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine has a molecular weight of 222.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)-2,2-dimethylpiperidin-3-yl]methanamine is sourced from PubChem (CID 117019699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).