2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C11H21N — CID 91712351

IUPAC2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CCC2C(C)CCCC2N1
InChIInChI=1S/C11H21N/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h8-12H,3-7H2,1-2H3
InChIKeyNESLFZGSUMCREM-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.56
Rot. Bonds

About 2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 91712351) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID91712351
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CCC2C(C)CCCC2N1
InChIInChI=1S/C11H21N/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h8-12H,3-7H2,1-2H3
InChIKeyNESLFZGSUMCREM-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 91712351) is 2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CC1CCC2C(C)CCCC2N1.
What is the InChIKey of 2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is NESLFZGSUMCREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h8-12H,3-7H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 167.30 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 91712351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).