N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine

C12H21N5 — CID 140717587

IUPACN'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine
SMILES[H]/N=C(\N1CCCC1)C(C)(C)N=C=NC(C)/C=N/[H]
InChIInChI=1S/C12H21N5/c1-10(8-13)15-9-16-12(2,3)11(14)17-6-4-5-7-17/h8,10,13-14H,4-7H2,1-3H3/b13-8+,14-11-
InChIKeyZZUZKUAWVHGZRL-BLWUOAHFSA-N
MW235.34 g/mol
LogP2.05
Rot. Bonds4

About N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine

N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine (PubChem CID 140717587) has the molecular formula C12H21N5 and a molecular weight of 235.34 g/mol. Its IUPAC name is N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine.

Molecular Properties

Compound NameN'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine
PubChem CID140717587
Molecular FormulaC12H21N5
Molecular Weight235.34 g/mol
Exact Mass235.18
IUPAC NameN'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine
SMILES[H]/N=C(\N1CCCC1)C(C)(C)N=C=NC(C)/C=N/[H]
InChIInChI=1S/C12H21N5/c1-10(8-13)15-9-16-12(2,3)11(14)17-6-4-5-7-17/h8,10,13-14H,4-7H2,1-3H3/b13-8+,14-11-
InChIKeyZZUZKUAWVHGZRL-BLWUOAHFSA-N
XLogP2.05
TPSA75.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine?
The IUPAC name of N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine (CID 140717587) is N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine.
What is the SMILES notation for N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine?
The canonical SMILES for N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine is [H]/N=C(\N1CCCC1)C(C)(C)N=C=NC(C)/C=N/[H].
What is the InChIKey of N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine?
The InChIKey is ZZUZKUAWVHGZRL-BLWUOAHFSA-N. The full InChI is InChI=1S/C12H21N5/c1-10(8-13)15-9-16-12(2,3)11(14)17-6-4-5-7-17/h8,10,13-14H,4-7H2,1-3H3/b13-8+,14-11-.
What are the key properties of N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine?
N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine has a molecular weight of 235.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-N-(1-iminopropan-2-yl)methanediimine is sourced from PubChem (CID 140717587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).