2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine

C14H27N3 — CID 11970487

IUPAC2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine
SMILESCC(C)=CN1CCN(CC/N=C/C(C)C)CC1
InChIInChI=1S/C14H27N3/c1-13(2)11-15-5-6-16-7-9-17(10-8-16)12-14(3)4/h11-13H,5-10H2,1-4H3/b15-11+
InChIKeyXRVOMWFWRKPBNF-RVDMUPIBSA-N
MW237.39 g/mol
LogP2.25
Rot. Bonds5

About 2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine

2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine (PubChem CID 11970487) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine
PubChem CID11970487
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine
SMILESCC(C)=CN1CCN(CC/N=C/C(C)C)CC1
InChIInChI=1S/C14H27N3/c1-13(2)11-15-5-6-16-7-9-17(10-8-16)12-14(3)4/h11-13H,5-10H2,1-4H3/b15-11+
InChIKeyXRVOMWFWRKPBNF-RVDMUPIBSA-N
XLogP2.25
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine?
The IUPAC name of 2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine (CID 11970487) is 2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine.
What is the SMILES notation for 2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine?
The canonical SMILES for 2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine is CC(C)=CN1CCN(CC/N=C/C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine?
The InChIKey is XRVOMWFWRKPBNF-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H27N3/c1-13(2)11-15-5-6-16-7-9-17(10-8-16)12-14(3)4/h11-13H,5-10H2,1-4H3/b15-11+.
What are the key properties of 2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine?
2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine has a molecular weight of 237.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(2-methylprop-1-enyl)piperazin-1-yl]ethyl]propan-1-imine is sourced from PubChem (CID 11970487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).