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

C21H43N3O — CID 166800691

IUPACN-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
SMILESCCCC(C)CN1CCN(CCOC2CC(NCC(C)CC)C2)CC1
InChIInChI=1S/C21H43N3O/c1-5-7-19(4)17-24-10-8-23(9-11-24)12-13-25-21-14-20(15-21)22-16-18(3)6-2/h18-22H,5-17H2,1-4H3
InChIKeyBZYLXGDPCHHOAW-UHFFFAOYSA-N
MW353.60 g/mol
LogP3.22
Rot. Bonds12

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

N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine (PubChem CID 166800691) has the molecular formula C21H43N3O and a molecular weight of 353.60 g/mol. Its IUPAC name is N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
PubChem CID166800691
Molecular FormulaC21H43N3O
Molecular Weight353.60 g/mol
Exact Mass353.34
IUPAC NameN-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
SMILESCCCC(C)CN1CCN(CCOC2CC(NCC(C)CC)C2)CC1
InChIInChI=1S/C21H43N3O/c1-5-7-19(4)17-24-10-8-23(9-11-24)12-13-25-21-14-20(15-21)22-16-18(3)6-2/h18-22H,5-17H2,1-4H3
InChIKeyBZYLXGDPCHHOAW-UHFFFAOYSA-N
XLogP3.22
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine?
The IUPAC name of N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine (CID 166800691) is N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine.
What is the SMILES notation for N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine?
The canonical SMILES for N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine is CCCC(C)CN1CCN(CCOC2CC(NCC(C)CC)C2)CC1.
What is the InChIKey of N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine?
The InChIKey is BZYLXGDPCHHOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3O/c1-5-7-19(4)17-24-10-8-23(9-11-24)12-13-25-21-14-20(15-21)22-16-18(3)6-2/h18-22H,5-17H2,1-4H3.
What are the key properties of N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine?
N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine has a molecular weight of 353.60 g/mol, XLogP of 3.22, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-3-[2-[4-(2-methylpentyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine is sourced from PubChem (CID 166800691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).