N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine

C20H41N3O — CID 167242628

IUPACN-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
SMILESCCC(C)CN(C)C1CC(OCCN2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C20H41N3O/c1-6-18(4)16-21(5)19-13-20(14-19)24-12-11-22-7-9-23(10-8-22)15-17(2)3/h17-20H,6-16H2,1-5H3
InChIKeyNPYOKMMSLAUOKB-UHFFFAOYSA-N
MW339.57 g/mol
LogP2.79
Rot. Bonds10

About N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine

N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine (PubChem CID 167242628) has the molecular formula C20H41N3O and a molecular weight of 339.57 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
PubChem CID167242628
Molecular FormulaC20H41N3O
Molecular Weight339.57 g/mol
Exact Mass339.32
IUPAC NameN-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
SMILESCCC(C)CN(C)C1CC(OCCN2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C20H41N3O/c1-6-18(4)16-21(5)19-13-20(14-19)24-12-11-22-7-9-23(10-8-22)15-17(2)3/h17-20H,6-16H2,1-5H3
InChIKeyNPYOKMMSLAUOKB-UHFFFAOYSA-N
XLogP2.79
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
CID 166800950
1-(2-cyclobutyloxyethyl)-4-(2-methylbutyl)piperazine
CID 156794849
N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
CID 166800691
methane;N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 162017171
N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 138728386
1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine
CID 80561693
3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine
CID 166035375
1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine
CID 138727344
N-methyl-N-propylcyclobutanamine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 155750743
methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine
CID 167687218
4-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine
CID 166035331
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine?
The IUPAC name of N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine (CID 167242628) is N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine.
What is the SMILES notation for N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine?
The canonical SMILES for N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine is CCC(C)CN(C)C1CC(OCCN2CCN(CC(C)C)CC2)C1.
What is the InChIKey of N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine?
The InChIKey is NPYOKMMSLAUOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O/c1-6-18(4)16-21(5)19-13-20(14-19)24-12-11-22-7-9-23(10-8-22)15-17(2)3/h17-20H,6-16H2,1-5H3.
What are the key properties of N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine?
N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine has a molecular weight of 339.57 g/mol, XLogP of 2.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine is sourced from PubChem (CID 167242628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).