N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine

C13H22N2O — CID 62438856

IUPACN-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1occc1CN1CCCCC1C
InChIInChI=1S/C13H22N2O/c1-11-5-3-4-7-15(11)10-12-6-8-16-13(12)9-14-2/h6,8,11,14H,3-5,7,9-10H2,1-2H3
InChIKeySCNQBOZTBSIJKU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.37
Rot. Bonds4

About N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine

N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine (PubChem CID 62438856) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
PubChem CID62438856
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1occc1CN1CCCCC1C
InChIInChI=1S/C13H22N2O/c1-11-5-3-4-7-15(11)10-12-6-8-16-13(12)9-14-2/h6,8,11,14H,3-5,7,9-10H2,1-2H3
InChIKeySCNQBOZTBSIJKU-UHFFFAOYSA-N
XLogP2.37
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413521
N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine
CID 62422863
N-[[3-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55075068
1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 55072456
N-[[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62413363
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 115562260
1-[2-[(2-ethylpyrrolidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62439336
N-methyl-1-[3-methyl-5-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 55070259
1-[3-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413262
1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62420012
methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 51075350
N-[[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 102728475

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine (CID 62438856) is N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine is CNCc1occc1CN1CCCCC1C.
What is the InChIKey of N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
The InChIKey is SCNQBOZTBSIJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-5-3-4-7-15(11)10-12-6-8-16-13(12)9-14-2/h6,8,11,14H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine has a molecular weight of 222.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62438856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).