N-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine

C16H23N3O — CID 62446589

IUPACN-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(Cn2ncc3ccccc32)O1
InChIInChI=1S/C16H23N3O/c1-2-9-17-11-14-7-8-15(20-14)12-19-16-6-4-3-5-13(16)10-18-19/h3-6,10,14-15,17H,2,7-9,11-12H2,1H3
InChIKeyFHACLEXMAZLDOT-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.58
Rot. Bonds6

About N-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine

N-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62446589) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
PubChem CID62446589
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(Cn2ncc3ccccc32)O1
InChIInChI=1S/C16H23N3O/c1-2-9-17-11-14-7-8-15(20-14)12-19-16-6-4-3-5-13(16)10-18-19/h3-6,10,14-15,17H,2,7-9,11-12H2,1H3
InChIKeyFHACLEXMAZLDOT-UHFFFAOYSA-N
XLogP2.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.58
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-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine (CID 62446589) is N-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(Cn2ncc3ccccc32)O1.
What is the InChIKey of N-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is FHACLEXMAZLDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-9-17-11-14-7-8-15(20-14)12-19-16-6-4-3-5-13(16)10-18-19/h3-6,10,14-15,17H,2,7-9,11-12H2,1H3.
What are the key properties of N-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine?
N-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(indazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62446589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).