N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine

C14H18N2O — CID 106887175

IUPACN-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1ccc(C)nc1
InChIInChI=1S/C14H18N2O/c1-3-7-15-10-14-13(6-8-17-14)12-5-4-11(2)16-9-12/h4-6,8-9,15H,3,7,10H2,1-2H3
InChIKeyCJFWWWXYODOFNF-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.15
Rot. Bonds5

About N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine

N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 106887175) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine
PubChem CID106887175
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1ccc(C)nc1
InChIInChI=1S/C14H18N2O/c1-3-7-15-10-14-13(6-8-17-14)12-5-4-11(2)16-9-12/h4-6,8-9,15H,3,7,10H2,1-2H3
InChIKeyCJFWWWXYODOFNF-UHFFFAOYSA-N
XLogP3.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.15
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-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine (CID 106887175) is N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1ccc(C)nc1.
What is the InChIKey of N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is CJFWWWXYODOFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-7-15-10-14-13(6-8-17-14)12-5-4-11(2)16-9-12/h4-6,8-9,15H,3,7,10H2,1-2H3.
What are the key properties of N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106887175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).