1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine

C10H20N2 — CID 142426324

IUPAC1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine
SMILESCN1CCCC2CCCC(N)C21
InChIInChI=1S/C10H20N2/c1-12-7-3-5-8-4-2-6-9(11)10(8)12/h8-10H,2-7,11H2,1H3
InChIKeyBSCIELBPVLDFIG-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.21
Rot. Bonds

About 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine

1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine (PubChem CID 142426324) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine.

Molecular Properties

Compound Name1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine
PubChem CID142426324
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine
SMILESCN1CCCC2CCCC(N)C21
InChIInChI=1S/C10H20N2/c1-12-7-3-5-8-4-2-6-9(11)10(8)12/h8-10H,2-7,11H2,1H3
InChIKeyBSCIELBPVLDFIG-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine?
The IUPAC name of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine (CID 142426324) is 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine.
What is the SMILES notation for 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine?
The canonical SMILES for 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine is CN1CCCC2CCCC(N)C21.
What is the InChIKey of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine?
The InChIKey is BSCIELBPVLDFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-12-7-3-5-8-4-2-6-9(11)10(8)12/h8-10H,2-7,11H2,1H3.
What are the key properties of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine?
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine has a molecular weight of 168.28 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine is sourced from PubChem (CID 142426324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).