1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine

C17H30N2O — CID 62411604

IUPAC1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CCC(C(C)(C)C)CC2)oc1C
InChIInChI=1S/C17H30N2O/c1-13-14(11-18-5)10-16(20-13)12-19-8-6-15(7-9-19)17(2,3)4/h10,15,18H,6-9,11-12H2,1-5H3
InChIKeyFPTOKVZJJDTAGR-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.57
Rot. Bonds4

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

1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine (PubChem CID 62411604) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
PubChem CID62411604
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CCC(C(C)(C)C)CC2)oc1C
InChIInChI=1S/C17H30N2O/c1-13-14(11-18-5)10-16(20-13)12-19-8-6-15(7-9-19)17(2,3)4/h10,15,18H,6-9,11-12H2,1-5H3
InChIKeyFPTOKVZJJDTAGR-UHFFFAOYSA-N
XLogP3.57
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62930821
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-[(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-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 63167944
N-methyl-1-[2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methanamine
CID 62973918
N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62418059
2-methyl-N-[[2-methyl-5-(piperidin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62424694
1-[4-[(4-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62421339
1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 104692338
N-[[5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62427817

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine (CID 62411604) is 1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine is CNCc1cc(CN2CCC(C(C)(C)C)CC2)oc1C.
What is the InChIKey of 1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The InChIKey is FPTOKVZJJDTAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13-14(11-18-5)10-16(20-13)12-19-8-6-15(7-9-19)17(2,3)4/h10,15,18H,6-9,11-12H2,1-5H3.
What are the key properties of 1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine has a molecular weight of 278.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62411604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).