(E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine

C12H17NOS — CID 90076419

IUPAC(E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine
SMILESCC(C)c1ccsc1/C=N/OCC1CC1
InChIInChI=1S/C12H17NOS/c1-9(2)11-5-6-15-12(11)7-13-14-8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3/b13-7+
InChIKeyLDQFMBMGHLXEQP-NTUHNPAUSA-N
MW223.34 g/mol
LogP3.63
Rot. Bonds5

About (E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine

(E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine (PubChem CID 90076419) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine.

Molecular Properties

Compound Name(E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine
PubChem CID90076419
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine
SMILESCC(C)c1ccsc1/C=N/OCC1CC1
InChIInChI=1S/C12H17NOS/c1-9(2)11-5-6-15-12(11)7-13-14-8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3/b13-7+
InChIKeyLDQFMBMGHLXEQP-NTUHNPAUSA-N
XLogP3.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine 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 (E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine?
The IUPAC name of (E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine (CID 90076419) is (E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine.
What is the SMILES notation for (E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine?
The canonical SMILES for (E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine is CC(C)c1ccsc1/C=N/OCC1CC1.
What is the InChIKey of (E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine?
The InChIKey is LDQFMBMGHLXEQP-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9(2)11-5-6-15-12(11)7-13-14-8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3/b13-7+.
What are the key properties of (E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine?
(E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine has a molecular weight of 223.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclopropylmethoxy)-1-(3-propan-2-ylthiophen-2-yl)methanimine is sourced from PubChem (CID 90076419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).