N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine

C12H27N3O — CID 83009972

IUPACN-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine
SMILESCOC(C)(C)CC(C)NN1CCN(C)CC1
InChIInChI=1S/C12H27N3O/c1-11(10-12(2,3)16-5)13-15-8-6-14(4)7-9-15/h11,13H,6-10H2,1-5H3
InChIKeyJUVJDTOCFKFYTH-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.94
Rot. Bonds5

About N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine

N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine (PubChem CID 83009972) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine
PubChem CID83009972
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine
SMILESCOC(C)(C)CC(C)NN1CCN(C)CC1
InChIInChI=1S/C12H27N3O/c1-11(10-12(2,3)16-5)13-15-8-6-14(4)7-9-15/h11,13H,6-10H2,1-5H3
InChIKeyJUVJDTOCFKFYTH-UHFFFAOYSA-N
XLogP0.94
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine 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 N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine (CID 83009972) is N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine is COC(C)(C)CC(C)NN1CCN(C)CC1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine?
The InChIKey is JUVJDTOCFKFYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-11(10-12(2,3)16-5)13-15-8-6-14(4)7-9-15/h11,13H,6-10H2,1-5H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine?
N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine has a molecular weight of 229.37 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 83009972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).