N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine

C16H19N3O — CID 62447516

IUPACN-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1Cn1ncc2ccccc21
InChIInChI=1S/C16H19N3O/c1-2-8-17-10-14-7-9-20-16(14)12-19-15-6-4-3-5-13(15)11-18-19/h3-7,9,11,17H,2,8,10,12H2,1H3
InChIKeyGAUZKNQFERWZQI-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.18
Rot. Bonds6

About N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine

N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine (PubChem CID 62447516) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine
PubChem CID62447516
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1Cn1ncc2ccccc21
InChIInChI=1S/C16H19N3O/c1-2-8-17-10-14-7-9-20-16(14)12-19-15-6-4-3-5-13(15)11-18-19/h3-7,9,11,17H,2,8,10,12H2,1H3
InChIKeyGAUZKNQFERWZQI-UHFFFAOYSA-N
XLogP3.18
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.18
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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Related Compounds

N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62448827
5-indazol-1-yl-N-propylpentan-1-amine
CID 62448825
N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
CID 62439019
N-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62446589
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439899
N-[[2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 102745997
1-propylindazole
CID 18695497
N-(indazol-1-ylmethyl)ethanamine
CID 57195663
1-ethylindazole;propane
CID 143188130
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
N-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62447871
N-[[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]methyl]propan-1-amine
CID 61369671

Frequently Asked Questions

What is the IUPAC name of N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine (CID 62447516) is N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine is CCCNCc1ccoc1Cn1ncc2ccccc21.
What is the InChIKey of N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine?
The InChIKey is GAUZKNQFERWZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-8-17-10-14-7-9-20-16(14)12-19-15-6-4-3-5-13(15)11-18-19/h3-7,9,11,17H,2,8,10,12H2,1H3.
What are the key properties of N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine?
N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62447516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).