2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

C18H32N2O — CID 114597119

IUPAC2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC1CC(C)C(C)N(Cc2ccoc2CNC(C)(C)C)C1
InChIInChI=1S/C18H32N2O/c1-13-9-14(2)15(3)20(11-13)12-16-7-8-21-17(16)10-19-18(4,5)6/h7-8,13-15,19H,9-12H2,1-6H3
InChIKeyHTEMJRQNFYUMKX-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.03
Rot. Bonds4

About 2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 114597119) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID114597119
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC1CC(C)C(C)N(Cc2ccoc2CNC(C)(C)C)C1
InChIInChI=1S/C18H32N2O/c1-13-9-14(2)15(3)20(11-13)12-16-7-8-21-17(16)10-19-18(4,5)6/h7-8,13-15,19H,9-12H2,1-6H3
InChIKeyHTEMJRQNFYUMKX-UHFFFAOYSA-N
XLogP4.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62423950
N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 82753136
1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463877
1-[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413521
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 115562284
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423418
N-[[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62413363
N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 114597126
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62423949
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine
CID 62417012
N-[[3-(cyclopentyloxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 55072771
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine
CID 62417218

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (CID 114597119) is 2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is CC1CC(C)C(C)N(Cc2ccoc2CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is HTEMJRQNFYUMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-13-9-14(2)15(3)20(11-13)12-16-7-8-21-17(16)10-19-18(4,5)6/h7-8,13-15,19H,9-12H2,1-6H3.
What are the key properties of 2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114597119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).