6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine

C19H24N2 — CID 14836489

IUPAC6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
SMILESNc1cccc2c1CCC(NCCCc1ccccc1)C2
InChIInChI=1S/C19H24N2/c20-19-10-4-9-16-14-17(11-12-18(16)19)21-13-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,17,21H,5,8,11-14,20H2
InChIKeyLBTGOEXQKNMRPA-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.35
Rot. Bonds5

About 6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine

6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine (PubChem CID 14836489) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
PubChem CID14836489
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
SMILESNc1cccc2c1CCC(NCCCc1ccccc1)C2
InChIInChI=1S/C19H24N2/c20-19-10-4-9-16-14-17(11-12-18(16)19)21-13-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,17,21H,5,8,11-14,20H2
InChIKeyLBTGOEXQKNMRPA-UHFFFAOYSA-N
XLogP3.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.35
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-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The IUPAC name of 6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine (CID 14836489) is 6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine.
What is the SMILES notation for 6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The canonical SMILES for 6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine is Nc1cccc2c1CCC(NCCCc1ccccc1)C2.
What is the InChIKey of 6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The InChIKey is LBTGOEXQKNMRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c20-19-10-4-9-16-14-17(11-12-18(16)19)21-13-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,17,21H,5,8,11-14,20H2.
What are the key properties of 6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine has a molecular weight of 280.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine is sourced from PubChem (CID 14836489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).