4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine

C13H23N3 — CID 174060728

IUPAC4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine
SMILESCN(C)C1=CC(=NC(C)(C)C)C=C1N(C)C
InChIInChI=1S/C13H23N3/c1-13(2,3)14-10-8-11(15(4)5)12(9-10)16(6)7/h8-9H,1-7H3
InChIKeyHUKQUFILKGTVRR-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds2

About 4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine

4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine (PubChem CID 174060728) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine.

Molecular Properties

Compound Name4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine
PubChem CID174060728
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine
SMILESCN(C)C1=CC(=NC(C)(C)C)C=C1N(C)C
InChIInChI=1S/C13H23N3/c1-13(2,3)14-10-8-11(15(4)5)12(9-10)16(6)7/h8-9H,1-7H3
InChIKeyHUKQUFILKGTVRR-UHFFFAOYSA-N
XLogP2.13
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine?
The IUPAC name of 4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine (CID 174060728) is 4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine.
What is the SMILES notation for 4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine?
The canonical SMILES for 4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine is CN(C)C1=CC(=NC(C)(C)C)C=C1N(C)C.
What is the InChIKey of 4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine?
The InChIKey is HUKQUFILKGTVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2,3)14-10-8-11(15(4)5)12(9-10)16(6)7/h8-9H,1-7H3.
What are the key properties of 4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine?
4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine is sourced from PubChem (CID 174060728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).