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

C20H28Cl2N2 — CID 70057029

IUPAC6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
SMILESCl.Cl.Nc1cccc2c1CCC(NCCCCc1ccccc1)C2
InChIInChI=1S/C20H26N2.2ClH/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;2*1H
InChIKeyWBJSYWTYDLZUJR-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.58
Rot. Bonds6

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

6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride (PubChem CID 70057029) has the molecular formula C20H28Cl2N2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride.

Molecular Properties

Compound Name6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
PubChem CID70057029
Molecular FormulaC20H28Cl2N2
Molecular Weight367.36 g/mol
Exact Mass366.16
IUPAC Name6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
SMILESCl.Cl.Nc1cccc2c1CCC(NCCCCc1ccccc1)C2
InChIInChI=1S/C20H26N2.2ClH/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;2*1H
InChIKeyWBJSYWTYDLZUJR-UHFFFAOYSA-N
XLogP4.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.58
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;dihydrochloride?
The IUPAC name of 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride (CID 70057029) is 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride.
What is the SMILES notation for 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
The canonical SMILES for 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride is Cl.Cl.Nc1cccc2c1CCC(NCCCCc1ccccc1)C2.
What is the InChIKey of 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
The InChIKey is WBJSYWTYDLZUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2.2ClH/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;2*1H.
What are the key properties of 6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride has a molecular weight of 367.36 g/mol, XLogP of 4.58, 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;dihydrochloride is sourced from PubChem (CID 70057029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).