1-(3,3-dimethylpent-1-en-2-yl)piperazine

C11H22N2 — CID 18717508

IUPAC1-(3,3-dimethylpent-1-en-2-yl)piperazine
SMILESC=C(N1CCNCC1)C(C)(C)CC
InChIInChI=1S/C11H22N2/c1-5-11(3,4)10(2)13-8-6-12-7-9-13/h12H,2,5-9H2,1,3-4H3
InChIKeyXPXOHEMNKXFTGF-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.84
Rot. Bonds3

About 1-(3,3-dimethylpent-1-en-2-yl)piperazine

1-(3,3-dimethylpent-1-en-2-yl)piperazine (PubChem CID 18717508) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(3,3-dimethylpent-1-en-2-yl)piperazine.

Molecular Properties

Compound Name1-(3,3-dimethylpent-1-en-2-yl)piperazine
PubChem CID18717508
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(3,3-dimethylpent-1-en-2-yl)piperazine
SMILESC=C(N1CCNCC1)C(C)(C)CC
InChIInChI=1S/C11H22N2/c1-5-11(3,4)10(2)13-8-6-12-7-9-13/h12H,2,5-9H2,1,3-4H3
InChIKeyXPXOHEMNKXFTGF-UHFFFAOYSA-N
XLogP1.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-dimethylpent-1-en-2-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine
CID 129084034
1,7,7-Trimethyl-8-methylidene-1,4-diazocane
CID 57785857
1,3,3-Trimethyl-2-methylidenepiperazine
CID 57786052
1-(3-Methylbut-1-en-2-yl)piperazine
CID 57798096
1-(1,4-dimethylpiperidin-4-yl)-N-methylethenamine
CID 58035354
N-butyl-3,3-dimethylpent-1-en-2-amine
CID 59096553
(2S)-3,3-dimethyl-1-(2-methylidenepiperidin-1-yl)butan-2-amine
CID 68324100
N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 87103401
N-(3,3-dimethylpent-1-en-2-yl)-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 89100894
1-(3-Methylpent-1-en-2-yl)piperazine
CID 89292013
1-(5-Methylhex-1-en-2-yl)piperazine
CID 89459516
3,3-Dimethyl-1-(4-methylpent-1-en-2-yl)piperazine
CID 89670674

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpent-1-en-2-yl)piperazine?
The IUPAC name of 1-(3,3-dimethylpent-1-en-2-yl)piperazine (CID 18717508) is 1-(3,3-dimethylpent-1-en-2-yl)piperazine.
What is the SMILES notation for 1-(3,3-dimethylpent-1-en-2-yl)piperazine?
The canonical SMILES for 1-(3,3-dimethylpent-1-en-2-yl)piperazine is C=C(N1CCNCC1)C(C)(C)CC.
What is the InChIKey of 1-(3,3-dimethylpent-1-en-2-yl)piperazine?
The InChIKey is XPXOHEMNKXFTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-11(3,4)10(2)13-8-6-12-7-9-13/h12H,2,5-9H2,1,3-4H3.
What are the key properties of 1-(3,3-dimethylpent-1-en-2-yl)piperazine?
1-(3,3-dimethylpent-1-en-2-yl)piperazine has a molecular weight of 182.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpent-1-en-2-yl)piperazine is sourced from PubChem (CID 18717508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).