N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine

C13H24N6 — CID 140717578

IUPACN'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine
SMILES[H]/N=C(\N1CCN(C)CC1)C(C)(C)N=C=NC(C)/C=N/[H]
InChIInChI=1S/C13H24N6/c1-11(9-14)16-10-17-13(2,3)12(15)19-7-5-18(4)6-8-19/h9,11,14-15H,5-8H2,1-4H3/b14-9+,15-12-
InChIKeyVBYPOPYKQCKOFU-QRHUXVGTSA-N
MW264.38 g/mol
LogP1.20
Rot. Bonds4

About N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine

N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine (PubChem CID 140717578) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine.

Molecular Properties

Compound NameN'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine
PubChem CID140717578
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC NameN'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine
SMILES[H]/N=C(\N1CCN(C)CC1)C(C)(C)N=C=NC(C)/C=N/[H]
InChIInChI=1S/C13H24N6/c1-11(9-14)16-10-17-13(2,3)12(15)19-7-5-18(4)6-8-19/h9,11,14-15H,5-8H2,1-4H3/b14-9+,15-12-
InChIKeyVBYPOPYKQCKOFU-QRHUXVGTSA-N
XLogP1.20
TPSA78.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine
CID 21348457
2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine
CID 21348459
1-(4-Tert-butylpiperazin-1-yl)ethanimine
CID 63173733
1-(3,4,5-Trimethylpiperazin-1-yl)ethanimine
CID 114541310
N-methyl-1-(4-propan-2-ylpiperazin-1-yl)ethane-1,2-diimine
CID 132034646
2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine
CID 138497199
N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine
CID 140717587
4-Tert-butyl-1-methanimidoylpiperazin-2-imine;ethane
CID 145201562
1-Methanimidoyl-4-propan-2-ylpiperazin-2-imine
CID 149414119
1-(4-Methylidenepiperazin-4-ium-1-yl)propan-1-imine
CID 174302746
2-(4-Tert-butylpiperazin-1-yl)propanimidamide
CID 61692219
2-(4-Tert-butylpiperazin-1-yl)butanimidamide
CID 61697937

Frequently Asked Questions

What is the IUPAC name of N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine?
The IUPAC name of N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine (CID 140717578) is N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine.
What is the SMILES notation for N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine?
The canonical SMILES for N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine is [H]/N=C(\N1CCN(C)CC1)C(C)(C)N=C=NC(C)/C=N/[H].
What is the InChIKey of N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine?
The InChIKey is VBYPOPYKQCKOFU-QRHUXVGTSA-N. The full InChI is InChI=1S/C13H24N6/c1-11(9-14)16-10-17-13(2,3)12(15)19-7-5-18(4)6-8-19/h9,11,14-15H,5-8H2,1-4H3/b14-9+,15-12-.
What are the key properties of N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine?
N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine has a molecular weight of 264.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-imino-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-N-(1-iminopropan-2-yl)methanediimine is sourced from PubChem (CID 140717578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).