N,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine

C11H21N3 — CID 155207254

IUPACN,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine
SMILESC=C(/C(=N\C)N1CCNCC1)C(C)C
InChIInChI=1S/C11H21N3/c1-9(2)10(3)11(12-4)14-7-5-13-6-8-14/h9,13H,3,5-8H2,1-2,4H3/b12-11+
InChIKeyRUBUJOMUKCXVPT-VAWYXSNFSA-N
MW195.31 g/mol
LogP1.13
Rot. Bonds2

About N,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine

N,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine (PubChem CID 155207254) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine.

Molecular Properties

Compound NameN,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine
PubChem CID155207254
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine
SMILESC=C(/C(=N\C)N1CCNCC1)C(C)C
InChIInChI=1S/C11H21N3/c1-9(2)10(3)11(12-4)14-7-5-13-6-8-14/h9,13H,3,5-8H2,1-2,4H3/b12-11+
InChIKeyRUBUJOMUKCXVPT-VAWYXSNFSA-N
XLogP1.13
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine?
The IUPAC name of N,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine (CID 155207254) is N,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine.
What is the SMILES notation for N,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine?
The canonical SMILES for N,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine is C=C(/C(=N\C)N1CCNCC1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine?
The InChIKey is RUBUJOMUKCXVPT-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)10(3)11(12-4)14-7-5-13-6-8-14/h9,13H,3,5-8H2,1-2,4H3/b12-11+.
What are the key properties of N,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine?
N,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine has a molecular weight of 195.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine is sourced from PubChem (CID 155207254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).