1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine

C15H26N2O — CID 62930821

IUPAC1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CCC(C)(C)CC2)oc1C
InChIInChI=1S/C15H26N2O/c1-12-13(10-16-4)9-14(18-12)11-17-7-5-15(2,3)6-8-17/h9,16H,5-8,10-11H2,1-4H3
InChIKeyDDOMLXFJCNESDR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.93
Rot. Bonds4

About 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine

1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine (PubChem CID 62930821) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
PubChem CID62930821
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CCC(C)(C)CC2)oc1C
InChIInChI=1S/C15H26N2O/c1-12-13(10-16-4)9-14(18-12)11-17-7-5-15(2,3)6-8-17/h9,16H,5-8,10-11H2,1-4H3
InChIKeyDDOMLXFJCNESDR-UHFFFAOYSA-N
XLogP2.93
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62417631
N-methyl-1-[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methanamine
CID 62418078
1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62411604
1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 79183372
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 115562245
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63159756
N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 63167944
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62932027
N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine
CID 62973918
N-[[5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 107456286
N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
CID 62419048
2-methyl-N-[[2-methyl-5-(piperidin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62424694

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine (CID 62930821) is 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine is CNCc1cc(CN2CCC(C)(C)CC2)oc1C.
What is the InChIKey of 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The InChIKey is DDOMLXFJCNESDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-13(10-16-4)9-14(18-12)11-17-7-5-15(2,3)6-8-17/h9,16H,5-8,10-11H2,1-4H3.
What are the key properties of 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62930821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).