1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane

C17H29N — CID 142056933

IUPAC1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane
SMILESCC.CC(C)C1(C)C=CC2=C(C=C1)N(C)CCC2
InChIInChI=1S/C15H23N.C2H6/c1-12(2)15(3)9-7-13-6-5-11-16(4)14(13)8-10-15;1-2/h7-10,12H,5-6,11H2,1-4H3;1-2H3
InChIKeyUIOVSDWRVBEZJM-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.78
Rot. Bonds1

About 1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane

1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane (PubChem CID 142056933) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane.

Molecular Properties

Compound Name1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane
PubChem CID142056933
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane
SMILESCC.CC(C)C1(C)C=CC2=C(C=C1)N(C)CCC2
InChIInChI=1S/C15H23N.C2H6/c1-12(2)15(3)9-7-13-6-5-11-16(4)14(13)8-10-15;1-2/h7-10,12H,5-6,11H2,1-4H3;1-2H3
InChIKeyUIOVSDWRVBEZJM-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane 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 1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane?
The IUPAC name of 1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane (CID 142056933) is 1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane.
What is the SMILES notation for 1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane?
The canonical SMILES for 1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane is CC.CC(C)C1(C)C=CC2=C(C=C1)N(C)CCC2.
What is the InChIKey of 1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane?
The InChIKey is UIOVSDWRVBEZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C2H6/c1-12(2)15(3)9-7-13-6-5-11-16(4)14(13)8-10-15;1-2/h7-10,12H,5-6,11H2,1-4H3;1-2H3.
What are the key properties of 1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane?
1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane has a molecular weight of 247.43 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane is sourced from PubChem (CID 142056933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).