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

C18H32N2O — CID 114597009

IUPACN-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN2CC(C)CC(C)C2C)cc1C
InChIInChI=1S/C18H32N2O/c1-6-7-19-10-18-15(4)9-17(21-18)12-20-11-13(2)8-14(3)16(20)5/h9,13-14,16,19H,6-8,10-12H2,1-5H3
InChIKeyKGBKRTGQZYAKGM-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.95
Rot. Bonds6

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

N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 114597009) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID114597009
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN2CC(C)CC(C)C2C)cc1C
InChIInChI=1S/C18H32N2O/c1-6-7-19-10-18-15(4)9-17(21-18)12-20-11-13(2)8-14(3)16(20)5/h9,13-14,16,19H,6-8,10-12H2,1-5H3
InChIKeyKGBKRTGQZYAKGM-UHFFFAOYSA-N
XLogP3.95
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine (CID 114597009) is N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1oc(CN2CC(C)CC(C)C2C)cc1C.
What is the InChIKey of N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is KGBKRTGQZYAKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-7-19-10-18-15(4)9-17(21-18)12-20-11-13(2)8-14(3)16(20)5/h9,13-14,16,19H,6-8,10-12H2,1-5H3.
What are the key properties of N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 114597009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).