7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine

C15H25N — CID 176971971

IUPAC7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine
SMILESCC(C)C1=CC2CCC(C)(C)CCC2N=C1
InChIInChI=1S/C15H25N/c1-11(2)13-9-12-5-7-15(3,4)8-6-14(12)16-10-13/h9-12,14H,5-8H2,1-4H3
InChIKeyVJSXWJKRIXVITG-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.24
Rot. Bonds1

About 7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine

7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine (PubChem CID 176971971) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine.

Molecular Properties

Compound Name7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine
PubChem CID176971971
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine
SMILESCC(C)C1=CC2CCC(C)(C)CCC2N=C1
InChIInChI=1S/C15H25N/c1-11(2)13-9-12-5-7-15(3,4)8-6-14(12)16-10-13/h9-12,14H,5-8H2,1-4H3
InChIKeyVJSXWJKRIXVITG-UHFFFAOYSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine?
The IUPAC name of 7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine (CID 176971971) is 7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine.
What is the SMILES notation for 7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine?
The canonical SMILES for 7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine is CC(C)C1=CC2CCC(C)(C)CCC2N=C1.
What is the InChIKey of 7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine?
The InChIKey is VJSXWJKRIXVITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11(2)13-9-12-5-7-15(3,4)8-6-14(12)16-10-13/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine?
7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine has a molecular weight of 219.37 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-propan-2-yl-4a,5,6,8,9,9a-hexahydrocyclohepta[b]pyridine is sourced from PubChem (CID 176971971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).