N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine

C13H27N3O — CID 83009341

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine
SMILESCCOC1CC(NN2CCN(C)CC2)C1(C)C
InChIInChI=1S/C13H27N3O/c1-5-17-12-10-11(13(12,2)3)14-16-8-6-15(4)7-9-16/h11-12,14H,5-10H2,1-4H3
InChIKeyCBJIFLLZTCRTHW-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.94
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine (PubChem CID 83009341) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine
PubChem CID83009341
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine
SMILESCCOC1CC(NN2CCN(C)CC2)C1(C)C
InChIInChI=1S/C13H27N3O/c1-5-17-12-10-11(13(12,2)3)14-16-8-6-15(4)7-9-16/h11-12,14H,5-10H2,1-4H3
InChIKeyCBJIFLLZTCRTHW-UHFFFAOYSA-N
XLogP0.94
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine (CID 83009341) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine is CCOC1CC(NN2CCN(C)CC2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine?
The InChIKey is CBJIFLLZTCRTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-17-12-10-11(13(12,2)3)14-16-8-6-15(4)7-9-16/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine has a molecular weight of 241.38 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 83009341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).