1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine

C12H26N2 — CID 104830208

IUPAC1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine
SMILESCC(N1CCNC(C)(C)C1)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-10(11(2,3)4)14-8-7-13-12(5,6)9-14/h10,13H,7-9H2,1-6H3
InChIKeySOZCFFHBCGQCKZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds1

About 1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine

1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine (PubChem CID 104830208) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine
PubChem CID104830208
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine
SMILESCC(N1CCNC(C)(C)C1)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-10(11(2,3)4)14-8-7-13-12(5,6)9-14/h10,13H,7-9H2,1-6H3
InChIKeySOZCFFHBCGQCKZ-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine 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 1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine (CID 104830208) is 1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine is CC(N1CCNC(C)(C)C1)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine?
The InChIKey is SOZCFFHBCGQCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(11(2,3)4)14-8-7-13-12(5,6)9-14/h10,13H,7-9H2,1-6H3.
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine?
1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine is sourced from PubChem (CID 104830208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).