N-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine

C14H23N3O — CID 114820232

IUPACN-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine
SMILESCOCCNc1n[nH]c2c1CC1(CCCC1)CC2
InChIInChI=1S/C14H23N3O/c1-18-9-8-15-13-11-10-14(5-2-3-6-14)7-4-12(11)16-17-13/h2-10H2,1H3,(H2,15,16,17)
InChIKeyAGYPGDWXYGAOEB-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.52
Rot. Bonds4

About N-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine

N-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine (PubChem CID 114820232) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine
PubChem CID114820232
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine
SMILESCOCCNc1n[nH]c2c1CC1(CCCC1)CC2
InChIInChI=1S/C14H23N3O/c1-18-9-8-15-13-11-10-14(5-2-3-6-14)7-4-12(11)16-17-13/h2-10H2,1H3,(H2,15,16,17)
InChIKeyAGYPGDWXYGAOEB-UHFFFAOYSA-N
XLogP2.52
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
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-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine?
The IUPAC name of N-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine (CID 114820232) is N-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine?
The canonical SMILES for N-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine is COCCNc1n[nH]c2c1CC1(CCCC1)CC2.
What is the InChIKey of N-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine?
The InChIKey is AGYPGDWXYGAOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-9-8-15-13-11-10-14(5-2-3-6-14)7-4-12(11)16-17-13/h2-10H2,1H3,(H2,15,16,17).
What are the key properties of N-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine?
N-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine has a molecular weight of 249.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopentane]-3-amine is sourced from PubChem (CID 114820232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).