2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine

C23H50N2O2 — CID 146637900

IUPAC2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine
SMILESCCC(COC(C)C)COC(C)(C)CC(C)C(CNC(C)C)CNC(C)C
InChIInChI=1S/C23H50N2O2/c1-11-21(15-26-19(6)7)16-27-23(9,10)12-20(8)22(13-24-17(2)3)14-25-18(4)5/h17-22,24-25H,11-16H2,1-10H3
InChIKeyKUGAAFPEKQHTGA-UHFFFAOYSA-N
MW386.67 g/mol
LogP4.87
Rot. Bonds16

About 2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine

2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine (PubChem CID 146637900) has the molecular formula C23H50N2O2 and a molecular weight of 386.67 g/mol. Its IUPAC name is 2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine
PubChem CID146637900
Molecular FormulaC23H50N2O2
Molecular Weight386.67 g/mol
Exact Mass386.39
IUPAC Name2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine
SMILESCCC(COC(C)C)COC(C)(C)CC(C)C(CNC(C)C)CNC(C)C
InChIInChI=1S/C23H50N2O2/c1-11-21(15-26-19(6)7)16-27-23(9,10)12-20(8)22(13-24-17(2)3)14-25-18(4)5/h17-22,24-25H,11-16H2,1-10H3
InChIKeyKUGAAFPEKQHTGA-UHFFFAOYSA-N
XLogP4.87
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.67
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine?
The IUPAC name of 2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine (CID 146637900) is 2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine is CCC(COC(C)C)COC(C)(C)CC(C)C(CNC(C)C)CNC(C)C.
What is the InChIKey of 2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine?
The InChIKey is KUGAAFPEKQHTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N2O2/c1-11-21(15-26-19(6)7)16-27-23(9,10)12-20(8)22(13-24-17(2)3)14-25-18(4)5/h17-22,24-25H,11-16H2,1-10H3.
What are the key properties of 2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine?
2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine has a molecular weight of 386.67 g/mol, XLogP of 4.87, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-[2-(propan-2-yloxymethyl)butoxy]pentan-2-yl]-N,N'-di(propan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 146637900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).