1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine

C11H27N3O2 — CID 21363277

IUPAC1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine
SMILESCC(N)COCCNC(C)COCC(C)N
InChIInChI=1S/C11H27N3O2/c1-9(12)6-15-5-4-14-11(3)8-16-7-10(2)13/h9-11,14H,4-8,12-13H2,1-3H3
InChIKeyYOAWNUABRVWZAA-UHFFFAOYSA-N
MW233.36 g/mol
LogP-0.31
Rot. Bonds10

About 1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine

1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine (PubChem CID 21363277) has the molecular formula C11H27N3O2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine.

Molecular Properties

Compound Name1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine
PubChem CID21363277
Molecular FormulaC11H27N3O2
Molecular Weight233.36 g/mol
Exact Mass233.21
IUPAC Name1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine
SMILESCC(N)COCCNC(C)COCC(C)N
InChIInChI=1S/C11H27N3O2/c1-9(12)6-15-5-4-14-11(3)8-16-7-10(2)13/h9-11,14H,4-8,12-13H2,1-3H3
InChIKeyYOAWNUABRVWZAA-UHFFFAOYSA-N
XLogP-0.31
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine?
The IUPAC name of 1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine (CID 21363277) is 1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine.
What is the SMILES notation for 1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine?
The canonical SMILES for 1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine is CC(N)COCCNC(C)COCC(C)N.
What is the InChIKey of 1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine?
The InChIKey is YOAWNUABRVWZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2/c1-9(12)6-15-5-4-14-11(3)8-16-7-10(2)13/h9-11,14H,4-8,12-13H2,1-3H3.
What are the key properties of 1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine?
1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of -0.31, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-aminopropoxy)propan-2-ylamino]ethoxy]propan-2-amine is sourced from PubChem (CID 21363277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).