N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine

C13H29N3 — CID 166832141

IUPACN-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCN1CCN(CC(C)(C)NC(C)(C)C)CC1
InChIInChI=1S/C13H29N3/c1-12(2,3)14-13(4,5)11-16-9-7-15(6)8-10-16/h14H,7-11H2,1-6H3
InChIKeyGPCXSRRKZKWVTK-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds3

About N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine

N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 166832141) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine
PubChem CID166832141
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCN1CCN(CC(C)(C)NC(C)(C)C)CC1
InChIInChI=1S/C13H29N3/c1-12(2,3)14-13(4,5)11-16-9-7-15(6)8-10-16/h14H,7-11H2,1-6H3
InChIKeyGPCXSRRKZKWVTK-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine?
The IUPAC name of N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine (CID 166832141) is N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine is CN1CCN(CC(C)(C)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine?
The InChIKey is GPCXSRRKZKWVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(2,3)14-13(4,5)11-16-9-7-15(6)8-10-16/h14H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine?
N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 166832141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).