3-(3-aminopropoxy)propan-1-amine

C6H16N2O — CID 12841412

IUPAC3-(3-aminopropoxy)propan-1-amine
SMILESNCCCOCCCN
InChIInChI=1S/C6H16N2O/c7-3-1-5-9-6-2-4-8/h1-8H2
InChIKeyKRPRVQWGKLEFKN-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.30
Rot. Bonds6

About 3-(3-aminopropoxy)propan-1-amine

3-(3-aminopropoxy)propan-1-amine (PubChem CID 12841412) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 3-(3-aminopropoxy)propan-1-amine.

Molecular Properties

Compound Name3-(3-aminopropoxy)propan-1-amine
PubChem CID12841412
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name3-(3-aminopropoxy)propan-1-amine
SMILESNCCCOCCCN
InChIInChI=1S/C6H16N2O/c7-3-1-5-9-6-2-4-8/h1-8H2
InChIKeyKRPRVQWGKLEFKN-UHFFFAOYSA-N
XLogP-0.30
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(3-aminopropoxy)propan-1-amine?
The IUPAC name of 3-(3-aminopropoxy)propan-1-amine (CID 12841412) is 3-(3-aminopropoxy)propan-1-amine.
What is the SMILES notation for 3-(3-aminopropoxy)propan-1-amine?
The canonical SMILES for 3-(3-aminopropoxy)propan-1-amine is NCCCOCCCN.
What is the InChIKey of 3-(3-aminopropoxy)propan-1-amine?
The InChIKey is KRPRVQWGKLEFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c7-3-1-5-9-6-2-4-8/h1-8H2.
What are the key properties of 3-(3-aminopropoxy)propan-1-amine?
3-(3-aminopropoxy)propan-1-amine has a molecular weight of 132.21 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)propan-1-amine is sourced from PubChem (CID 12841412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).