2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine

C21H44N2O — CID 134576593

IUPAC2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine
SMILESCCN(C1COC1)C(C)(C)C(C)CCC(C)(C(C)C)N(CC)CC
InChIInChI=1S/C21H44N2O/c1-10-22(11-2)21(9,17(4)5)14-13-18(6)20(7,8)23(12-3)19-15-24-16-19/h17-19H,10-16H2,1-9H3
InChIKeyWMXPBNOQNKGKGF-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.66
Rot. Bonds11

About 2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine

2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine (PubChem CID 134576593) has the molecular formula C21H44N2O and a molecular weight of 340.60 g/mol. Its IUPAC name is 2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine
PubChem CID134576593
Molecular FormulaC21H44N2O
Molecular Weight340.60 g/mol
Exact Mass340.35
IUPAC Name2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine
SMILESCCN(C1COC1)C(C)(C)C(C)CCC(C)(C(C)C)N(CC)CC
InChIInChI=1S/C21H44N2O/c1-10-22(11-2)21(9,17(4)5)14-13-18(6)20(7,8)23(12-3)19-15-24-16-19/h17-19H,10-16H2,1-9H3
InChIKeyWMXPBNOQNKGKGF-UHFFFAOYSA-N
XLogP4.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine with MolForge

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Related Compounds

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N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine?
The IUPAC name of 2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine (CID 134576593) is 2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine.
What is the SMILES notation for 2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine?
The canonical SMILES for 2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine is CCN(C1COC1)C(C)(C)C(C)CCC(C)(C(C)C)N(CC)CC.
What is the InChIKey of 2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine?
The InChIKey is WMXPBNOQNKGKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O/c1-10-22(11-2)21(9,17(4)5)14-13-18(6)20(7,8)23(12-3)19-15-24-16-19/h17-19H,10-16H2,1-9H3.
What are the key properties of 2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine?
2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine has a molecular weight of 340.60 g/mol, XLogP of 4.66, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N,6-N-triethyl-2,3,6,7-tetramethyl-2-N-(oxetan-3-yl)octane-2,6-diamine is sourced from PubChem (CID 134576593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).