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

C14H24N2O — CID 62932027

IUPAC1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
SMILESCNCc1coc(CN2CCC(C)(C)CC2)c1
InChIInChI=1S/C14H24N2O/c1-14(2)4-6-16(7-5-14)10-13-8-12(9-15-3)11-17-13/h8,11,15H,4-7,9-10H2,1-3H3
InChIKeyVTKOSGGNFOEXJJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.62
Rot. Bonds4

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

1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine (PubChem CID 62932027) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
PubChem CID62932027
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
SMILESCNCc1coc(CN2CCC(C)(C)CC2)c1
InChIInChI=1S/C14H24N2O/c1-14(2)4-6-16(7-5-14)10-13-8-12(9-15-3)11-17-13/h8,11,15H,4-7,9-10H2,1-3H3
InChIKeyVTKOSGGNFOEXJJ-UHFFFAOYSA-N
XLogP2.62
TPSA28.41 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

1-[5-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62412564
N-methyl-1-[5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 62428197
1-[5-[(3-ethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62432874
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62930821
N-[[5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 107456266
1-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432280
N-[[5-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 55069819
N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62411943
N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62423623
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 102746010
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62413116
N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107395572

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine (CID 62932027) is 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine is CNCc1coc(CN2CCC(C)(C)CC2)c1.
What is the InChIKey of 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine?
The InChIKey is VTKOSGGNFOEXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2)4-6-16(7-5-14)10-13-8-12(9-15-3)11-17-13/h8,11,15H,4-7,9-10H2,1-3H3.
What are the key properties of 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine?
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine 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 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62932027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).