N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C17H35N3O — CID 64850604

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCC2CN(C)CCN2C)C1(C)C
InChIInChI=1S/C17H35N3O/c1-13(2)12-21-16-9-15(17(16,3)4)18-10-14-11-19(5)7-8-20(14)6/h13-16,18H,7-12H2,1-6H3
InChIKeyUZOLJARFOAFMET-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.66
Rot. Bonds6

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64850604) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64850604
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCC2CN(C)CCN2C)C1(C)C
InChIInChI=1S/C17H35N3O/c1-13(2)12-21-16-9-15(17(16,3)4)18-10-14-11-19(5)7-8-20(14)6/h13-16,18H,7-12H2,1-6H3
InChIKeyUZOLJARFOAFMET-UHFFFAOYSA-N
XLogP1.66
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64850604) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is CC(C)COC1CC(NCC2CN(C)CCN2C)C1(C)C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is UZOLJARFOAFMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-13(2)12-21-16-9-15(17(16,3)4)18-10-14-11-19(5)7-8-20(14)6/h13-16,18H,7-12H2,1-6H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 297.49 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64850604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).