N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine

C16H28N2O2 — CID 102965460

IUPACN-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCC(C)C(OC)C2)o1
InChIInChI=1S/C16H28N2O2/c1-4-8-17-10-14-5-6-15(20-14)11-18-9-7-13(2)16(12-18)19-3/h5-6,13,16-17H,4,7-12H2,1-3H3
InChIKeyGOBHBNAKVAUCNX-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.64
Rot. Bonds7

About N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine

N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 102965460) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID102965460
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCC(C)C(OC)C2)o1
InChIInChI=1S/C16H28N2O2/c1-4-8-17-10-14-5-6-15(20-14)11-18-9-7-13(2)16(12-18)19-3/h5-6,13,16-17H,4,7-12H2,1-3H3
InChIKeyGOBHBNAKVAUCNX-UHFFFAOYSA-N
XLogP2.64
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine (CID 102965460) is N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN2CCC(C)C(OC)C2)o1.
What is the InChIKey of N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is GOBHBNAKVAUCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-8-17-10-14-5-6-15(20-14)11-18-9-7-13(2)16(12-18)19-3/h5-6,13,16-17H,4,7-12H2,1-3H3.
What are the key properties of N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 102965460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).