4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane

C18H33N — CID 158002640

IUPAC4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane
SMILESC.CC(C)C1=C2CCC(C(C)C)CCCC2C=NC1
InChIInChI=1S/C17H29N.CH4/c1-12(2)14-6-5-7-15-10-18-11-17(13(3)4)16(15)9-8-14;/h10,12-15H,5-9,11H2,1-4H3;1H4
InChIKeyFDXLINCJQCSBTO-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.51
Rot. Bonds2

About 4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane

4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane (PubChem CID 158002640) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane.

Molecular Properties

Compound Name4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane
PubChem CID158002640
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane
SMILESC.CC(C)C1=C2CCC(C(C)C)CCCC2C=NC1
InChIInChI=1S/C17H29N.CH4/c1-12(2)14-6-5-7-15-10-18-11-17(13(3)4)16(15)9-8-14;/h10,12-15H,5-9,11H2,1-4H3;1H4
InChIKeyFDXLINCJQCSBTO-UHFFFAOYSA-N
XLogP5.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane 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 4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane?
The IUPAC name of 4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane (CID 158002640) is 4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane.
What is the SMILES notation for 4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane?
The canonical SMILES for 4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane is C.CC(C)C1=C2CCC(C(C)C)CCCC2C=NC1.
What is the InChIKey of 4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane?
The InChIKey is FDXLINCJQCSBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.CH4/c1-12(2)14-6-5-7-15-10-18-11-17(13(3)4)16(15)9-8-14;/h10,12-15H,5-9,11H2,1-4H3;1H4.
What are the key properties of 4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane?
4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane has a molecular weight of 263.47 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine;methane is sourced from PubChem (CID 158002640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).