6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine

C11H17N — CID 175628725

IUPAC6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine
SMILESCC(C)C1(C2=CCCC=N2)CC1
InChIInChI=1S/C11H17N/c1-9(2)11(6-7-11)10-5-3-4-8-12-10/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyBLECLYYCHRFNGG-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.17
Rot. Bonds2

About 6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine

6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine (PubChem CID 175628725) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine
PubChem CID175628725
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine
SMILESCC(C)C1(C2=CCCC=N2)CC1
InChIInChI=1S/C11H17N/c1-9(2)11(6-7-11)10-5-3-4-8-12-10/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyBLECLYYCHRFNGG-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine 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 6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine?
The IUPAC name of 6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine (CID 175628725) is 6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine.
What is the SMILES notation for 6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine?
The canonical SMILES for 6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine is CC(C)C1(C2=CCCC=N2)CC1.
What is the InChIKey of 6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine?
The InChIKey is BLECLYYCHRFNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)11(6-7-11)10-5-3-4-8-12-10/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine?
6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine has a molecular weight of 163.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propan-2-ylcyclopropyl)-3,4-dihydropyridine is sourced from PubChem (CID 175628725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).