1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine

C13H30N6 — CID 123869304

IUPAC1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine
SMILESCCC(C)CCC1CNC(N2CN(C)NN2)CN1C
InChIInChI=1S/C13H30N6/c1-5-11(2)6-7-12-8-14-13(9-17(12)3)19-10-18(4)15-16-19/h11-16H,5-10H2,1-4H3
InChIKeyVXMQRGHZAPRZDM-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.17
Rot. Bonds5

About 1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine

1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine (PubChem CID 123869304) has the molecular formula C13H30N6 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine.

Molecular Properties

Compound Name1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine
PubChem CID123869304
Molecular FormulaC13H30N6
Molecular Weight270.42 g/mol
Exact Mass270.25
IUPAC Name1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine
SMILESCCC(C)CCC1CNC(N2CN(C)NN2)CN1C
InChIInChI=1S/C13H30N6/c1-5-11(2)6-7-12-8-14-13(9-17(12)3)19-10-18(4)15-16-19/h11-16H,5-10H2,1-4H3
InChIKeyVXMQRGHZAPRZDM-UHFFFAOYSA-N
XLogP0.17
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine?
The IUPAC name of 1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine (CID 123869304) is 1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine.
What is the SMILES notation for 1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine?
The canonical SMILES for 1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine is CCC(C)CCC1CNC(N2CN(C)NN2)CN1C.
What is the InChIKey of 1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine?
The InChIKey is VXMQRGHZAPRZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N6/c1-5-11(2)6-7-12-8-14-13(9-17(12)3)19-10-18(4)15-16-19/h11-16H,5-10H2,1-4H3.
What are the key properties of 1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine?
1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine has a molecular weight of 270.42 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylpentyl)-5-(4-methyltetrazolidin-1-yl)piperazine is sourced from PubChem (CID 123869304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).