methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium

C8H16N3+ — CID 91135733

IUPACmethyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium
SMILESC=[N+](C)C=C1CNCCN1C
InChIInChI=1S/C8H16N3/c1-10(2)7-8-6-9-4-5-11(8)3/h7,9H,1,4-6H2,2-3H3/q+1
InChIKeyMPJJDLREQVALMI-UHFFFAOYSA-N
MW154.24 g/mol
LogP-0.29
Rot. Bonds1

About methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium

methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium (PubChem CID 91135733) has the molecular formula C8H16N3+ and a molecular weight of 154.24 g/mol. Its IUPAC name is methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium.

Molecular Properties

Compound Namemethyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium
PubChem CID91135733
Molecular FormulaC8H16N3+
Molecular Weight154.24 g/mol
Exact Mass154.13
IUPAC Namemethyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium
SMILESC=[N+](C)C=C1CNCCN1C
InChIInChI=1S/C8H16N3/c1-10(2)7-8-6-9-4-5-11(8)3/h7,9H,1,4-6H2,2-3H3/q+1
InChIKeyMPJJDLREQVALMI-UHFFFAOYSA-N
XLogP-0.29
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-methylidenepiperazine
CID 17920505
1-Methyl-2-methylidenepiperazine
CID 21333562
1-Ethyl-3-methylidenepiperazine
CID 22980279
2-Methylidene-1-propylpiperazine
CID 53630616
3-Methylidene-1-propan-2-ylpiperazine
CID 57531005
N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine
CID 58279600
3-Methylidene-1-(2-methylpropyl)piperazine
CID 58326873
2-Methylidene-1-propan-2-ylpiperazine
CID 58459870
1-Tert-butyl-3-methylidenepiperazine
CID 58564516
1-Tert-butyl-2-methylidenepiperazine
CID 59009295
5-Methyl-2-methylidene-1-propylpiperazine
CID 70649108
(Z)-(4-methylpiperazin-2-ylidene)methanamine
CID 88997052

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium?
The IUPAC name of methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium (CID 91135733) is methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium.
What is the SMILES notation for methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium?
The canonical SMILES for methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium is C=[N+](C)C=C1CNCCN1C.
What is the InChIKey of methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium?
The InChIKey is MPJJDLREQVALMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3/c1-10(2)7-8-6-9-4-5-11(8)3/h7,9H,1,4-6H2,2-3H3/q+1.
What are the key properties of methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium?
methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium has a molecular weight of 154.24 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium is sourced from PubChem (CID 91135733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).