1-(2-aminopropoxy)propan-2-amine

C6H16N2O — CID 10034672

IUPAC1-(2-aminopropoxy)propan-2-amine
SMILESCC(N)COCC(C)N
InChIInChI=1S/C6H16N2O/c1-5(7)3-9-4-6(2)8/h5-6H,3-4,7-8H2,1-2H3
InChIKeyFIXBBOOKVFTUMJ-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.30
Rot. Bonds4

About 1-(2-aminopropoxy)propan-2-amine

1-(2-aminopropoxy)propan-2-amine (PubChem CID 10034672) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-(2-aminopropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-aminopropoxy)propan-2-amine
PubChem CID10034672
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name1-(2-aminopropoxy)propan-2-amine
SMILESCC(N)COCC(C)N
InChIInChI=1S/C6H16N2O/c1-5(7)3-9-4-6(2)8/h5-6H,3-4,7-8H2,1-2H3
InChIKeyFIXBBOOKVFTUMJ-UHFFFAOYSA-N
XLogP-0.30
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropoxy)propan-2-amine?
The IUPAC name of 1-(2-aminopropoxy)propan-2-amine (CID 10034672) is 1-(2-aminopropoxy)propan-2-amine.
What is the SMILES notation for 1-(2-aminopropoxy)propan-2-amine?
The canonical SMILES for 1-(2-aminopropoxy)propan-2-amine is CC(N)COCC(C)N.
What is the InChIKey of 1-(2-aminopropoxy)propan-2-amine?
The InChIKey is FIXBBOOKVFTUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-5(7)3-9-4-6(2)8/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2-aminopropoxy)propan-2-amine?
1-(2-aminopropoxy)propan-2-amine has a molecular weight of 132.21 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropoxy)propan-2-amine is sourced from PubChem (CID 10034672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).