5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine

C12H22N2 — CID 126494577

IUPAC5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine
SMILESCN(C)C1=C(N)C=CC1(C)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-11(2,3)12(4)8-7-9(13)10(12)14(5)6/h7-8H,13H2,1-6H3
InChIKeyIDWSVSSNDHNNKP-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.34
Rot. Bonds1

About 5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine

5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine (PubChem CID 126494577) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine
PubChem CID126494577
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine
SMILESCN(C)C1=C(N)C=CC1(C)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-11(2,3)12(4)8-7-9(13)10(12)14(5)6/h7-8H,13H2,1-6H3
InChIKeyIDWSVSSNDHNNKP-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-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 5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine?
The IUPAC name of 5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine (CID 126494577) is 5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine.
What is the SMILES notation for 5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine?
The canonical SMILES for 5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine is CN(C)C1=C(N)C=CC1(C)C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine?
The InChIKey is IDWSVSSNDHNNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2,3)12(4)8-7-9(13)10(12)14(5)6/h7-8H,13H2,1-6H3.
What are the key properties of 5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine?
5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine has a molecular weight of 194.32 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-N,1-N,5-trimethylcyclopenta-1,3-diene-1,2-diamine is sourced from PubChem (CID 126494577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).