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

C23H34Cl2N2 — CID 19773355

IUPAC6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
SMILESCCCN(CCCCc1ccccc1)C1CCc2c(N)cccc2C1.Cl.Cl
InChIInChI=1S/C23H32N2.2ClH/c1-2-16-25(17-7-6-11-19-9-4-3-5-10-19)21-14-15-22-20(18-21)12-8-13-23(22)24;;/h3-5,8-10,12-13,21H,2,6-7,11,14-18,24H2,1H3;2*1H
InChIKeyIDXVWJHRLGOHDF-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.70
Rot. Bonds8

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

6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride (PubChem CID 19773355) has the molecular formula C23H34Cl2N2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride.

Molecular Properties

Compound Name6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
PubChem CID19773355
Molecular FormulaC23H34Cl2N2
Molecular Weight409.45 g/mol
Exact Mass408.21
IUPAC Name6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
SMILESCCCN(CCCCc1ccccc1)C1CCc2c(N)cccc2C1.Cl.Cl
InChIInChI=1S/C23H32N2.2ClH/c1-2-16-25(17-7-6-11-19-9-4-3-5-10-19)21-14-15-22-20(18-21)12-8-13-23(22)24;;/h3-5,8-10,12-13,21H,2,6-7,11,14-18,24H2,1H3;2*1H
InChIKeyIDXVWJHRLGOHDF-UHFFFAOYSA-N
XLogP5.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
The IUPAC name of 6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride (CID 19773355) is 6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride.
What is the SMILES notation for 6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
The canonical SMILES for 6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride is CCCN(CCCCc1ccccc1)C1CCc2c(N)cccc2C1.Cl.Cl.
What is the InChIKey of 6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
The InChIKey is IDXVWJHRLGOHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2.2ClH/c1-2-16-25(17-7-6-11-19-9-4-3-5-10-19)21-14-15-22-20(18-21)12-8-13-23(22)24;;/h3-5,8-10,12-13,21H,2,6-7,11,14-18,24H2,1H3;2*1H.
What are the key properties of 6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride has a molecular weight of 409.45 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride is sourced from PubChem (CID 19773355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).