6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine

C24H53N3O2 — CID 174167260

IUPAC6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine
SMILESCC(CC(C)(C)N)CC(C)(C)ON(C)C(C)CC(C)(C)OC(C)(C)CC(C)CN
InChIInChI=1S/C24H53N3O2/c1-18(13-21(4,5)26)14-24(10,11)29-27(12)20(3)16-23(8,9)28-22(6,7)15-19(2)17-25/h18-20H,13-17,25-26H2,1-12H3
InChIKeyNUPGNTSDLJWOBU-UHFFFAOYSA-N
MW415.71 g/mol
LogP5.12
Rot. Bonds14

About 6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine

6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine (PubChem CID 174167260) has the molecular formula C24H53N3O2 and a molecular weight of 415.71 g/mol. Its IUPAC name is 6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine.

Molecular Properties

Compound Name6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine
PubChem CID174167260
Molecular FormulaC24H53N3O2
Molecular Weight415.71 g/mol
Exact Mass415.41
IUPAC Name6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine
SMILESCC(CC(C)(C)N)CC(C)(C)ON(C)C(C)CC(C)(C)OC(C)(C)CC(C)CN
InChIInChI=1S/C24H53N3O2/c1-18(13-21(4,5)26)14-24(10,11)29-27(12)20(3)16-23(8,9)28-22(6,7)15-19(2)17-25/h18-20H,13-17,25-26H2,1-12H3
InChIKeyNUPGNTSDLJWOBU-UHFFFAOYSA-N
XLogP5.12
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.71
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine?
The IUPAC name of 6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine (CID 174167260) is 6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine.
What is the SMILES notation for 6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine?
The canonical SMILES for 6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine is CC(CC(C)(C)N)CC(C)(C)ON(C)C(C)CC(C)(C)OC(C)(C)CC(C)CN.
What is the InChIKey of 6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine?
The InChIKey is NUPGNTSDLJWOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53N3O2/c1-18(13-21(4,5)26)14-24(10,11)29-27(12)20(3)16-23(8,9)28-22(6,7)15-19(2)17-25/h18-20H,13-17,25-26H2,1-12H3.
What are the key properties of 6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine?
6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine has a molecular weight of 415.71 g/mol, XLogP of 5.12, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(5-amino-2,4-dimethylpentan-2-yl)oxy-4-methylpentan-2-yl]-methylamino]oxy-2,4,6-trimethylheptan-2-amine is sourced from PubChem (CID 174167260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).