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

C10H22N2 — CID 21106193

IUPACazane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CCC2CCCCC2N1.N
InChIInChI=1S/C10H19N.H3N/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h8-11H,2-7H2,1H3;1H3
InChIKeyUPKDEGUTDFLVGE-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.48
Rot. Bonds

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

azane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 21106193) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is azane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Nameazane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID21106193
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameazane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CCC2CCCCC2N1.N
InChIInChI=1S/C10H19N.H3N/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h8-11H,2-7H2,1H3;1H3
InChIKeyUPKDEGUTDFLVGE-UHFFFAOYSA-N
XLogP2.48
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of azane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 21106193) is azane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for azane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for azane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CC1CCC2CCCCC2N1.N.
What is the InChIKey of azane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is UPKDEGUTDFLVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.H3N/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h8-11H,2-7H2,1H3;1H3.
What are the key properties of azane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
azane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 170.30 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 21106193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).