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

C10H19N — CID 15555473

IUPAC3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CNC2CCCCC2C1
InChIInChI=1S/C10H19N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h8-11H,2-7H2,1H3
InChIKeyGIYKGPCCXLXYND-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.17
Rot. Bonds

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

3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 15555473) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID15555473
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CNC2CCCCC2C1
InChIInChI=1S/C10H19N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h8-11H,2-7H2,1H3
InChIKeyGIYKGPCCXLXYND-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 15555473) is 3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CC1CNC2CCCCC2C1.
What is the InChIKey of 3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is GIYKGPCCXLXYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h8-11H,2-7H2,1H3.
What are the key properties of 3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 153.27 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 15555473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).