1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine

C28H32N2 — CID 118283497

IUPAC1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine
SMILESCC(C)(C)c1ccc2c(-c3c(N)ccc4cc(C(C)(C)C)ccc34)c(N)ccc2c1
InChIInChI=1S/C28H32N2/c1-27(2,3)19-9-11-21-17(15-19)7-13-23(29)25(21)26-22-12-10-20(28(4,5)6)16-18(22)8-14-24(26)30/h7-16H,29-30H2,1-6H3
InChIKeyGUMPRACWPZYZNJ-UHFFFAOYSA-N
MW396.58 g/mol
LogP7.42
Rot. Bonds1

About 1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine

1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine (PubChem CID 118283497) has the molecular formula C28H32N2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine.

Molecular Properties

Compound Name1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine
PubChem CID118283497
Molecular FormulaC28H32N2
Molecular Weight396.58 g/mol
Exact Mass396.26
IUPAC Name1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine
SMILESCC(C)(C)c1ccc2c(-c3c(N)ccc4cc(C(C)(C)C)ccc34)c(N)ccc2c1
InChIInChI=1S/C28H32N2/c1-27(2,3)19-9-11-21-17(15-19)7-13-23(29)25(21)26-22-12-10-20(28(4,5)6)16-18(22)8-14-24(26)30/h7-16H,29-30H2,1-6H3
InChIKeyGUMPRACWPZYZNJ-UHFFFAOYSA-N
XLogP7.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-6-tert-butylnaphthalene-2-thiol
CID 58927019
1-(2-amino-6-trimethylsilylnaphthalen-1-yl)-6-trimethylsilylnaphthalen-2-amine
CID 102434734
2,6-ditert-butylanthracene
CID 15740416
2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene
CID 59611270
4-tert-butyl-2-fluoroaniline
CID 10464690
6-tert-butyl-1-methylnaphthalene
CID 3019609
(3,7-ditert-butylnaphthalen-1-yl)boronic acid
CID 58068101
2-(2,6-ditert-butylnaphthalen-1-yl)thiophene
CID 169050425
2-(2,6-ditert-butylnaphthalen-1-yl)furan
CID 169050461
2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline
CID 52936811
2,7-ditert-butyl-9-(2,7-ditert-butylphenanthren-9-yl)phenanthrene
CID 123877985
2-bromo-6-(2,6-ditert-butylanthracen-9-yl)pyridine
CID 131964922

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine?
The IUPAC name of 1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine (CID 118283497) is 1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine.
What is the SMILES notation for 1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine?
The canonical SMILES for 1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine is CC(C)(C)c1ccc2c(-c3c(N)ccc4cc(C(C)(C)C)ccc34)c(N)ccc2c1.
What is the InChIKey of 1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine?
The InChIKey is GUMPRACWPZYZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2/c1-27(2,3)19-9-11-21-17(15-19)7-13-23(29)25(21)26-22-12-10-20(28(4,5)6)16-18(22)8-14-24(26)30/h7-16H,29-30H2,1-6H3.
What are the key properties of 1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine?
1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine has a molecular weight of 396.58 g/mol, XLogP of 7.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine is sourced from PubChem (CID 118283497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).