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

C22H45N3O — CID 166800950

IUPACN-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
SMILESCCCC(C)CN1CCN(CCOC2CC(N(C)CC(C)CC)C2)CC1
InChIInChI=1S/C22H45N3O/c1-6-8-20(4)18-25-11-9-24(10-12-25)13-14-26-22-15-21(16-22)23(5)17-19(3)7-2/h19-22H,6-18H2,1-5H3
InChIKeyNNDZRCZXOSDUHN-UHFFFAOYSA-N
MW367.62 g/mol
LogP3.57
Rot. Bonds12

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

N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine (PubChem CID 166800950) has the molecular formula C22H45N3O and a molecular weight of 367.62 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
PubChem CID166800950
Molecular FormulaC22H45N3O
Molecular Weight367.62 g/mol
Exact Mass367.36
IUPAC NameN-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
SMILESCCCC(C)CN1CCN(CCOC2CC(N(C)CC(C)CC)C2)CC1
InChIInChI=1S/C22H45N3O/c1-6-8-20(4)18-25-11-9-24(10-12-25)13-14-26-22-15-21(16-22)23(5)17-19(3)7-2/h19-22H,6-18H2,1-5H3
InChIKeyNNDZRCZXOSDUHN-UHFFFAOYSA-N
XLogP3.57
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-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-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine?
The IUPAC name of N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine (CID 166800950) is N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine.
What is the SMILES notation for N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine?
The canonical SMILES for N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine is CCCC(C)CN1CCN(CCOC2CC(N(C)CC(C)CC)C2)CC1.
What is the InChIKey of N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine?
The InChIKey is NNDZRCZXOSDUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O/c1-6-8-20(4)18-25-11-9-24(10-12-25)13-14-26-22-15-21(16-22)23(5)17-19(3)7-2/h19-22H,6-18H2,1-5H3.
What are the key properties of N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine?
N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine has a molecular weight of 367.62 g/mol, XLogP of 3.57, 12 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-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine is sourced from PubChem (CID 166800950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).