2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine

C10H24N2O — CID 87601538

IUPAC2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine
SMILESCC(C)C(C)(N)OC(C)(N)C(C)C
InChIInChI=1S/C10H24N2O/c1-7(2)9(5,11)13-10(6,12)8(3)4/h7-8H,11-12H2,1-6H3
InChIKeyKYTKXAKFFXXVFF-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.66
Rot. Bonds4

About 2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine

2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine (PubChem CID 87601538) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine
PubChem CID87601538
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine
SMILESCC(C)C(C)(N)OC(C)(N)C(C)C
InChIInChI=1S/C10H24N2O/c1-7(2)9(5,11)13-10(6,12)8(3)4/h7-8H,11-12H2,1-6H3
InChIKeyKYTKXAKFFXXVFF-UHFFFAOYSA-N
XLogP1.66
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine?
The IUPAC name of 2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine (CID 87601538) is 2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine.
What is the SMILES notation for 2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine?
The canonical SMILES for 2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine is CC(C)C(C)(N)OC(C)(N)C(C)C.
What is the InChIKey of 2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine?
The InChIKey is KYTKXAKFFXXVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-7(2)9(5,11)13-10(6,12)8(3)4/h7-8H,11-12H2,1-6H3.
What are the key properties of 2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine?
2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine has a molecular weight of 188.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylbutan-2-yl)oxy-3-methylbutan-2-amine is sourced from PubChem (CID 87601538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).