1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine

C12H25N3 — CID 79659008

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine
SMILESC=C(C)CC(NC)C1CN(C)CCN1C
InChIInChI=1S/C12H25N3/c1-10(2)8-11(13-3)12-9-14(4)6-7-15(12)5/h11-13H,1,6-9H2,2-5H3
InChIKeyKCULAMBWSPABMG-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.79
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine

1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine (PubChem CID 79659008) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine
PubChem CID79659008
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine
SMILESC=C(C)CC(NC)C1CN(C)CCN1C
InChIInChI=1S/C12H25N3/c1-10(2)8-11(13-3)12-9-14(4)6-7-15(12)5/h11-13H,1,6-9H2,2-5H3
InChIKeyKCULAMBWSPABMG-UHFFFAOYSA-N
XLogP0.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine (CID 79659008) is 1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine is C=C(C)CC(NC)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine?
The InChIKey is KCULAMBWSPABMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)8-11(13-3)12-9-14(4)6-7-15(12)5/h11-13H,1,6-9H2,2-5H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylbut-3-en-1-amine is sourced from PubChem (CID 79659008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).