2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine

C10H24N2O2 — CID 118118074

IUPAC2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine
SMILESCC(C)(CN)OC(C)(C)OCCCN
InChIInChI=1S/C10H24N2O2/c1-9(2,8-12)14-10(3,4)13-7-5-6-11/h5-8,11-12H2,1-4H3
InChIKeyFGFWPRQVEPHOOX-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.84
Rot. Bonds7

About 2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine

2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine (PubChem CID 118118074) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine
PubChem CID118118074
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine
SMILESCC(C)(CN)OC(C)(C)OCCCN
InChIInChI=1S/C10H24N2O2/c1-9(2,8-12)14-10(3,4)13-7-5-6-11/h5-8,11-12H2,1-4H3
InChIKeyFGFWPRQVEPHOOX-UHFFFAOYSA-N
XLogP0.84
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine?
The IUPAC name of 2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine (CID 118118074) is 2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine?
The canonical SMILES for 2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine is CC(C)(CN)OC(C)(C)OCCCN.
What is the InChIKey of 2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine?
The InChIKey is FGFWPRQVEPHOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-9(2,8-12)14-10(3,4)13-7-5-6-11/h5-8,11-12H2,1-4H3.
What are the key properties of 2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine?
2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine has a molecular weight of 204.31 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine is sourced from PubChem (CID 118118074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).