3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine

C11H20N2 — CID 64954826

IUPAC3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine
SMILESC#CC(C)(C)N1CCNC(C)(C)C1
InChIInChI=1S/C11H20N2/c1-6-11(4,5)13-8-7-12-10(2,3)9-13/h1,12H,7-9H2,2-5H3
InChIKeyCUOSMJNFIRIFPD-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds1

About 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine

3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine (PubChem CID 64954826) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine
PubChem CID64954826
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine
SMILESC#CC(C)(C)N1CCNC(C)(C)C1
InChIInChI=1S/C11H20N2/c1-6-11(4,5)13-8-7-12-10(2,3)9-13/h1,12H,7-9H2,2-5H3
InChIKeyCUOSMJNFIRIFPD-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)-1,4-diazepane
CID 64950814
1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine
CID 104830208
3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine
CID 64954825
3-methyl-1-(2-methylbut-3-yn-2-yl)-1,4-diazepane
CID 64951213
1-tert-butyl-3-ethyl-3-methylpiperazine
CID 64920009
2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane
CID 170939414
1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine
CID 82994653
3-benzyl-1-(2-methylbut-3-yn-2-yl)piperazine
CID 64951832
3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine
CID 64925996
2,2,2-trichloro-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 82245855
4-tert-butyl-7,7-dimethyl-1,4-diazepan-5-one
CID 117023395
1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane
CID 64943217

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine?
The IUPAC name of 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine (CID 64954826) is 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine?
The canonical SMILES for 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine is C#CC(C)(C)N1CCNC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine?
The InChIKey is CUOSMJNFIRIFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-11(4,5)13-8-7-12-10(2,3)9-13/h1,12H,7-9H2,2-5H3.
What are the key properties of 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine?
3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine has a molecular weight of 180.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylbut-3-yn-2-yl)piperazine is sourced from PubChem (CID 64954826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).