2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine

C15H24N2 — CID 14846058

IUPAC2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine
SMILESCc1c(N)cc2c(c1N)C(C)(C)CCC2(C)C
InChIInChI=1S/C15H24N2/c1-9-11(16)8-10-12(13(9)17)15(4,5)7-6-14(10,2)3/h8H,6-7,16-17H2,1-5H3
InChIKeyVOARWBXVYFSWIW-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.51
Rot. Bonds

About 2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine

2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine (PubChem CID 14846058) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine.

Molecular Properties

Compound Name2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine
PubChem CID14846058
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine
SMILESCc1c(N)cc2c(c1N)C(C)(C)CCC2(C)C
InChIInChI=1S/C15H24N2/c1-9-11(16)8-10-12(13(9)17)15(4,5)7-6-14(10,2)3/h8H,6-7,16-17H2,1-5H3
InChIKeyVOARWBXVYFSWIW-UHFFFAOYSA-N
XLogP3.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine 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 2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine?
The IUPAC name of 2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine (CID 14846058) is 2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine.
What is the SMILES notation for 2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine?
The canonical SMILES for 2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine is Cc1c(N)cc2c(c1N)C(C)(C)CCC2(C)C.
What is the InChIKey of 2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine?
The InChIKey is VOARWBXVYFSWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-9-11(16)8-10-12(13(9)17)15(4,5)7-6-14(10,2)3/h8H,6-7,16-17H2,1-5H3.
What are the key properties of 2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine?
2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-1,3-diamine is sourced from PubChem (CID 14846058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).