1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine

C9H18N4 — CID 170084368

IUPAC1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine
SMILESC=NN1CCNC/C1=N\CC(C)C
InChIInChI=1S/C9H18N4/c1-8(2)6-12-9-7-11-4-5-13(9)10-3/h8,11H,3-7H2,1-2H3/b12-9+
InChIKeyKSDORCXNQZJXCK-FMIVXFBMSA-N
MW182.27 g/mol
LogP0.56
Rot. Bonds3

About 1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine

1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine (PubChem CID 170084368) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine.

Molecular Properties

Compound Name1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine
PubChem CID170084368
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine
SMILESC=NN1CCNC/C1=N\CC(C)C
InChIInChI=1S/C9H18N4/c1-8(2)6-12-9-7-11-4-5-13(9)10-3/h8,11H,3-7H2,1-2H3/b12-9+
InChIKeyKSDORCXNQZJXCK-FMIVXFBMSA-N
XLogP0.56
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(Z)-(1-methylpiperazin-2-ylidene)amino]ethenamine
CID 154667163
ethane;1-ethenyl-N-methylpiperazin-2-imine
CID 145392859
5-(2-methylpropyl)-2,3,4,6-tetrahydro-1H-2,5-benzodiazocine
CID 117015505
N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine
CID 143325168
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105480647
methane;1-(2-methylpropyl)piperazine
CID 167537973
2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 105456674
1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101229
1-[(2S)-2-hydroxypropyl]piperazin-2-one
CID 96979456
2-methylpropane;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 145392855
1-butan-2-ylpiperazin-2-one;hydrobromide
CID 141488903
1-methyl-2-methylidene-1,4-diazepane
CID 90244936

Frequently Asked Questions

What is the IUPAC name of 1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine?
The IUPAC name of 1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine (CID 170084368) is 1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine.
What is the SMILES notation for 1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine?
The canonical SMILES for 1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine is C=NN1CCNC/C1=N\CC(C)C.
What is the InChIKey of 1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine?
The InChIKey is KSDORCXNQZJXCK-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H18N4/c1-8(2)6-12-9-7-11-4-5-13(9)10-3/h8,11H,3-7H2,1-2H3/b12-9+.
What are the key properties of 1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine?
1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine has a molecular weight of 182.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylideneamino)-N-(2-methylpropyl)piperazin-2-imine is sourced from PubChem (CID 170084368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).