3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine

C11H23NO — CID 167137313

IUPAC3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCCOCC)C(C)C
InChIInChI=1S/C11H23NO/c1-5-8-12(11(3)4)9-7-10-13-6-2/h5,11H,1,6-10H2,2-4H3
InChIKeyDGZDPSJUCSUHDK-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.31
Rot. Bonds8

About 3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine

3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine (PubChem CID 167137313) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine
PubChem CID167137313
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCCOCC)C(C)C
InChIInChI=1S/C11H23NO/c1-5-8-12(11(3)4)9-7-10-13-6-2/h5,11H,1,6-10H2,2-4H3
InChIKeyDGZDPSJUCSUHDK-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine?
The IUPAC name of 3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine (CID 167137313) is 3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine is C=CCN(CCCOCC)C(C)C.
What is the InChIKey of 3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine?
The InChIKey is DGZDPSJUCSUHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-8-12(11(3)4)9-7-10-13-6-2/h5,11H,1,6-10H2,2-4H3.
What are the key properties of 3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine?
3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-propan-2-yl-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 167137313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).