2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine

C20H26N2 — CID 12588737

IUPAC2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine
SMILESCN(C)c1c2c(c(N(C)C)c3c1=CC=C3)=CC(C(C)(C)C)=C2
InChIInChI=1S/C20H26N2/c1-20(2,3)13-11-16-17(12-13)19(22(6)7)15-10-8-9-14(15)18(16)21(4)5/h8-12H,1-7H3
InChIKeyZZSGWKGDNLQCQC-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.85
Rot. Bonds2

About 2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine

2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine (PubChem CID 12588737) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine
PubChem CID12588737
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine
SMILESCN(C)c1c2c(c(N(C)C)c3c1=CC=C3)=CC(C(C)(C)C)=C2
InChIInChI=1S/C20H26N2/c1-20(2,3)13-11-16-17(12-13)19(22(6)7)15-10-8-9-14(15)18(16)21(4)5/h8-12H,1-7H3
InChIKeyZZSGWKGDNLQCQC-UHFFFAOYSA-N
XLogP2.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine?
The IUPAC name of 2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine (CID 12588737) is 2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine.
What is the SMILES notation for 2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine?
The canonical SMILES for 2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine is CN(C)c1c2c(c(N(C)C)c3c1=CC=C3)=CC(C(C)(C)C)=C2.
What is the InChIKey of 2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine?
The InChIKey is ZZSGWKGDNLQCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-20(2,3)13-11-16-17(12-13)19(22(6)7)15-10-8-9-14(15)18(16)21(4)5/h8-12H,1-7H3.
What are the key properties of 2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine?
2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N,4-N,8-N,8-N-tetramethyl-s-indacene-4,8-diamine is sourced from PubChem (CID 12588737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).