1-N,5-N-ditert-butylnaphthalene-1,5-diamine

C18H26N2 — CID 58895651

IUPAC1-N,5-N-ditert-butylnaphthalene-1,5-diamine
SMILESCC(C)(C)Nc1cccc2c(NC(C)(C)C)cccc12
InChIInChI=1S/C18H26N2/c1-17(2,3)19-15-11-7-10-14-13(15)9-8-12-16(14)20-18(4,5)6/h7-12,19-20H,1-6H3
InChIKeyKISQGOLGSHPBRU-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.26
Rot. Bonds2

About 1-N,5-N-ditert-butylnaphthalene-1,5-diamine

1-N,5-N-ditert-butylnaphthalene-1,5-diamine (PubChem CID 58895651) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-N,5-N-ditert-butylnaphthalene-1,5-diamine.

Molecular Properties

Compound Name1-N,5-N-ditert-butylnaphthalene-1,5-diamine
PubChem CID58895651
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-N,5-N-ditert-butylnaphthalene-1,5-diamine
SMILESCC(C)(C)Nc1cccc2c(NC(C)(C)C)cccc12
InChIInChI=1S/C18H26N2/c1-17(2,3)19-15-11-7-10-14-13(15)9-8-12-16(14)20-18(4,5)6/h7-12,19-20H,1-6H3
InChIKeyKISQGOLGSHPBRU-UHFFFAOYSA-N
XLogP5.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl-1-naphthylamine
CID 7013
1-Naphthylamine
CID 8640
N-phenyl-2-naphthylamine
CID 8679
Alpha-Naphthylthiourea
CID 736366
1,5-Diaminonaphthalene
CID 16720
1,8-Diaminonaphthalene
CID 68067
Proton sponge
CID 88675
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
N,N'-Di(2-naphthyl)-p-phenylenediamine
CID 7142
N-1-Naphthylethylenediamine dihydrochloride
CID 15106
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
N-(3-Methylphenyl)aniline
CID 14569

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-ditert-butylnaphthalene-1,5-diamine?
The IUPAC name of 1-N,5-N-ditert-butylnaphthalene-1,5-diamine (CID 58895651) is 1-N,5-N-ditert-butylnaphthalene-1,5-diamine.
What is the SMILES notation for 1-N,5-N-ditert-butylnaphthalene-1,5-diamine?
The canonical SMILES for 1-N,5-N-ditert-butylnaphthalene-1,5-diamine is CC(C)(C)Nc1cccc2c(NC(C)(C)C)cccc12.
What is the InChIKey of 1-N,5-N-ditert-butylnaphthalene-1,5-diamine?
The InChIKey is KISQGOLGSHPBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-17(2,3)19-15-11-7-10-14-13(15)9-8-12-16(14)20-18(4,5)6/h7-12,19-20H,1-6H3.
What are the key properties of 1-N,5-N-ditert-butylnaphthalene-1,5-diamine?
1-N,5-N-ditert-butylnaphthalene-1,5-diamine has a molecular weight of 270.42 g/mol, XLogP of 5.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-ditert-butylnaphthalene-1,5-diamine is sourced from PubChem (CID 58895651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).