2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine

C12H29N3O2 — CID 88794038

IUPAC2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine
SMILESCC(CNCC(C)OCCCN)OCCCN
InChIInChI=1S/C12H29N3O2/c1-11(16-7-3-5-13)9-15-10-12(2)17-8-4-6-14/h11-12,15H,3-10,13-14H2,1-2H3
InChIKeyGFQSSOOROFOUFE-UHFFFAOYSA-N
MW247.38 g/mol
LogP0.08
Rot. Bonds12

About 2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine

2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine (PubChem CID 88794038) has the molecular formula C12H29N3O2 and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine
PubChem CID88794038
Molecular FormulaC12H29N3O2
Molecular Weight247.38 g/mol
Exact Mass247.23
IUPAC Name2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine
SMILESCC(CNCC(C)OCCCN)OCCCN
InChIInChI=1S/C12H29N3O2/c1-11(16-7-3-5-13)9-15-10-12(2)17-8-4-6-14/h11-12,15H,3-10,13-14H2,1-2H3
InChIKeyGFQSSOOROFOUFE-UHFFFAOYSA-N
XLogP0.08
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 50.08
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 2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine?
The IUPAC name of 2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine (CID 88794038) is 2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine.
What is the SMILES notation for 2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine?
The canonical SMILES for 2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine is CC(CNCC(C)OCCCN)OCCCN.
What is the InChIKey of 2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine?
The InChIKey is GFQSSOOROFOUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2/c1-11(16-7-3-5-13)9-15-10-12(2)17-8-4-6-14/h11-12,15H,3-10,13-14H2,1-2H3.
What are the key properties of 2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine?
2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 0.08, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-N-[2-(3-aminopropoxy)propyl]propan-1-amine is sourced from PubChem (CID 88794038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).