1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine

C15H25N — CID 71135169

IUPAC1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine
SMILESCC1=CN=C(C)C2CCCCCCCCC12
InChIInChI=1S/C15H25N/c1-12-11-16-13(2)15-10-8-6-4-3-5-7-9-14(12)15/h11,14-15H,3-10H2,1-2H3
InChIKeyDQTRVMXAPJMBMW-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.73
Rot. Bonds

About 1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine

1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine (PubChem CID 71135169) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine.

Molecular Properties

Compound Name1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine
PubChem CID71135169
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine
SMILESCC1=CN=C(C)C2CCCCCCCCC12
InChIInChI=1S/C15H25N/c1-12-11-16-13(2)15-10-8-6-4-3-5-7-9-14(12)15/h11,14-15H,3-10H2,1-2H3
InChIKeyDQTRVMXAPJMBMW-UHFFFAOYSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine?
The IUPAC name of 1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine (CID 71135169) is 1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine.
What is the SMILES notation for 1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine?
The canonical SMILES for 1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine is CC1=CN=C(C)C2CCCCCCCCC12.
What is the InChIKey of 1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine?
The InChIKey is DQTRVMXAPJMBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12-11-16-13(2)15-10-8-6-4-3-5-7-9-14(12)15/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine?
1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine has a molecular weight of 219.37 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-4a,5,6,7,8,9,10,11,12,12a-decahydrocyclodeca[c]pyridine is sourced from PubChem (CID 71135169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).