[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine

C13H22N2O — CID 62412124

IUPAC[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
SMILESCC1CCCN(Cc2cc(CN)co2)C1C
InChIInChI=1S/C13H22N2O/c1-10-4-3-5-15(11(10)2)8-13-6-12(7-14)9-16-13/h6,9-11H,3-5,7-8,14H2,1-2H3
InChIKeyMNVKJJMTJIJLCW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.36
Rot. Bonds3

About [5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine

[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine (PubChem CID 62412124) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
PubChem CID62412124
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
SMILESCC1CCCN(Cc2cc(CN)co2)C1C
InChIInChI=1S/C13H22N2O/c1-10-4-3-5-15(11(10)2)8-13-6-12(7-14)9-16-13/h6,9-11H,3-5,7-8,14H2,1-2H3
InChIKeyMNVKJJMTJIJLCW-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62412126
1-[1-[[4-(aminomethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 55128528
5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 55054227
1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
CID 131020830
[5-[(3-methylmorpholin-4-yl)methyl]furan-3-yl]methanamine
CID 62422880
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 65324282
N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62413684
5-[(2,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 62124826
[4-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methanol
CID 112631290
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62420838
[3-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895699
N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 104692369

Frequently Asked Questions

What is the IUPAC name of [5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine?
The IUPAC name of [5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine (CID 62412124) is [5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine?
The canonical SMILES for [5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine is CC1CCCN(Cc2cc(CN)co2)C1C.
What is the InChIKey of [5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine?
The InChIKey is MNVKJJMTJIJLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-4-3-5-15(11(10)2)8-13-6-12(7-14)9-16-13/h6,9-11H,3-5,7-8,14H2,1-2H3.
What are the key properties of [5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine?
[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine has a molecular weight of 222.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62412124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).