6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine

C26H32N6O — CID 11955548

IUPAC6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine
SMILESNCCCCCCn1nnc(-c2ccc(C3=CC4(CCNCC4)Oc4ccccc43)cc2)n1
InChIInChI=1S/C26H32N6O/c27-15-5-1-2-6-18-32-30-25(29-31-32)21-11-9-20(10-12-21)23-19-26(13-16-28-17-14-26)33-24-8-4-3-7-22(23)24/h3-4,7-12,19,28H,1-2,5-6,13-18,27H2
InChIKeyRJTSILCJEPOBNH-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.81
Rot. Bonds8

About 6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine

6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine (PubChem CID 11955548) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine
PubChem CID11955548
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine
SMILESNCCCCCCn1nnc(-c2ccc(C3=CC4(CCNCC4)Oc4ccccc43)cc2)n1
InChIInChI=1S/C26H32N6O/c27-15-5-1-2-6-18-32-30-25(29-31-32)21-11-9-20(10-12-21)23-19-26(13-16-28-17-14-26)33-24-8-4-3-7-22(23)24/h3-4,7-12,19,28H,1-2,5-6,13-18,27H2
InChIKeyRJTSILCJEPOBNH-UHFFFAOYSA-N
XLogP3.81
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine?
The IUPAC name of 6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine (CID 11955548) is 6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine.
What is the SMILES notation for 6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine?
The canonical SMILES for 6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine is NCCCCCCn1nnc(-c2ccc(C3=CC4(CCNCC4)Oc4ccccc43)cc2)n1.
What is the InChIKey of 6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine?
The InChIKey is RJTSILCJEPOBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c27-15-5-1-2-6-18-32-30-25(29-31-32)21-11-9-20(10-12-21)23-19-26(13-16-28-17-14-26)33-24-8-4-3-7-22(23)24/h3-4,7-12,19,28H,1-2,5-6,13-18,27H2.
What are the key properties of 6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine?
6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine has a molecular weight of 444.58 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]hexan-1-amine is sourced from PubChem (CID 11955548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).