1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine

C22H44N2 — CID 130306051

IUPAC1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine
SMILESCC(C)CCN1CC(C(C)CC(C)(C)C2CN(CCC(C)C)C2)C1
InChIInChI=1S/C22H44N2/c1-17(2)8-10-23-13-20(14-23)19(5)12-22(6,7)21-15-24(16-21)11-9-18(3)4/h17-21H,8-16H2,1-7H3
InChIKeyYSTBCTJQJMZKIT-UHFFFAOYSA-N
MW336.61 g/mol
LogP4.99
Rot. Bonds10

About 1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine

1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine (PubChem CID 130306051) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine
PubChem CID130306051
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine
SMILESCC(C)CCN1CC(C(C)CC(C)(C)C2CN(CCC(C)C)C2)C1
InChIInChI=1S/C22H44N2/c1-17(2)8-10-23-13-20(14-23)19(5)12-22(6,7)21-15-24(16-21)11-9-18(3)4/h17-21H,8-16H2,1-7H3
InChIKeyYSTBCTJQJMZKIT-UHFFFAOYSA-N
XLogP4.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.61
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine?
The IUPAC name of 1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine (CID 130306051) is 1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine.
What is the SMILES notation for 1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine?
The canonical SMILES for 1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine is CC(C)CCN1CC(C(C)CC(C)(C)C2CN(CCC(C)C)C2)C1.
What is the InChIKey of 1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine?
The InChIKey is YSTBCTJQJMZKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-17(2)8-10-23-13-20(14-23)19(5)12-22(6,7)21-15-24(16-21)11-9-18(3)4/h17-21H,8-16H2,1-7H3.
What are the key properties of 1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine?
1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine has a molecular weight of 336.61 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine is sourced from PubChem (CID 130306051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).