1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine

C8H18N2O2 — CID 150917215

IUPAC1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine
SMILESCC(N)COC=COCC(C)N
InChIInChI=1S/C8H18N2O2/c1-7(9)5-11-3-4-12-6-8(2)10/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyLDGIKUGYZDLGIE-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.19
Rot. Bonds6

About 1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine

1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine (PubChem CID 150917215) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine
PubChem CID150917215
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine
SMILESCC(N)COC=COCC(C)N
InChIInChI=1S/C8H18N2O2/c1-7(9)5-11-3-4-12-6-8(2)10/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyLDGIKUGYZDLGIE-UHFFFAOYSA-N
XLogP0.19
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine?
The IUPAC name of 1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine (CID 150917215) is 1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine.
What is the SMILES notation for 1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine?
The canonical SMILES for 1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine is CC(N)COC=COCC(C)N.
What is the InChIKey of 1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine?
The InChIKey is LDGIKUGYZDLGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-7(9)5-11-3-4-12-6-8(2)10/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of 1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine?
1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine has a molecular weight of 174.24 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine is sourced from PubChem (CID 150917215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).