N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine

C12H23NO — CID 102641187

IUPACN-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CCOCC)CNC1CC1
InChIInChI=1S/C12H23NO/c1-4-12(3,8-9-14-5-2)10-13-11-6-7-11/h4,11,13H,1,5-10H2,2-3H3
InChIKeyUJJXUEAITMMCKL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds8

About N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine

N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine (PubChem CID 102641187) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine
PubChem CID102641187
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CCOCC)CNC1CC1
InChIInChI=1S/C12H23NO/c1-4-12(3,8-9-14-5-2)10-13-11-6-7-11/h4,11,13H,1,5-10H2,2-3H3
InChIKeyUJJXUEAITMMCKL-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
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 N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine 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 N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine?
The IUPAC name of N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine (CID 102641187) is N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine is C=CC(C)(CCOCC)CNC1CC1.
What is the InChIKey of N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine?
The InChIKey is UJJXUEAITMMCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-12(3,8-9-14-5-2)10-13-11-6-7-11/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine?
N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyethyl)-2-methylbut-3-enyl]cyclopropanamine is sourced from PubChem (CID 102641187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).