3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine

C8H18N2O — CID 143673511

IUPAC3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(COCCN)NC(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)10-8(3)6-11-5-4-9/h7,10H,3-6,9H2,1-2H3
InChIKeyKITKZMZDJXYTQX-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.47
Rot. Bonds6

About 3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine

3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine (PubChem CID 143673511) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine
PubChem CID143673511
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(COCCN)NC(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)10-8(3)6-11-5-4-9/h7,10H,3-6,9H2,1-2H3
InChIKeyKITKZMZDJXYTQX-UHFFFAOYSA-N
XLogP0.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.47
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-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine?
The IUPAC name of 3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine (CID 143673511) is 3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine.
What is the SMILES notation for 3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine?
The canonical SMILES for 3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine is C=C(COCCN)NC(C)C.
What is the InChIKey of 3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine?
The InChIKey is KITKZMZDJXYTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)10-8(3)6-11-5-4-9/h7,10H,3-6,9H2,1-2H3.
What are the key properties of 3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine?
3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine has a molecular weight of 158.24 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-propan-2-ylprop-1-en-2-amine is sourced from PubChem (CID 143673511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).