6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine

C20H26N2 — CID 14836490

IUPAC6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
SMILESNc1cccc2c1CCC(NCCCCc1ccccc1)C2
InChIInChI=1S/C20H26N2/c21-20-11-6-10-17-15-18(12-13-19(17)20)22-14-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,18,22H,4-5,9,12-15,21H2
InChIKeyFEAHRXUXFOMUEP-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.74
Rot. Bonds6

About 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine

6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine (PubChem CID 14836490) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
PubChem CID14836490
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
SMILESNc1cccc2c1CCC(NCCCCc1ccccc1)C2
InChIInChI=1S/C20H26N2/c21-20-11-6-10-17-15-18(12-13-19(17)20)22-14-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,18,22H,4-5,9,12-15,21H2
InChIKeyFEAHRXUXFOMUEP-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The IUPAC name of 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine (CID 14836490) is 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine.
What is the SMILES notation for 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The canonical SMILES for 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine is Nc1cccc2c1CCC(NCCCCc1ccccc1)C2.
What is the InChIKey of 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The InChIKey is FEAHRXUXFOMUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c21-20-11-6-10-17-15-18(12-13-19(17)20)22-14-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,18,22H,4-5,9,12-15,21H2.
What are the key properties of 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine is sourced from PubChem (CID 14836490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).