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

C10H20N2 — CID 22828494

IUPAC(2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine
SMILESCN1C2CCCC[C@H]2CC[C@H]1N
InChIInChI=1S/C10H20N2/c1-12-9-5-3-2-4-8(9)6-7-10(12)11/h8-10H,2-7,11H2,1H3/t8-,9?,10-/m0/s1
InChIKeyBSGXJJPWOIGZGT-SMILAEQMSA-N
MW168.28 g/mol
LogP1.56
Rot. Bonds

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

(2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine (PubChem CID 22828494) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine.

Molecular Properties

Compound Name(2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine
PubChem CID22828494
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine
SMILESCN1C2CCCC[C@H]2CC[C@H]1N
InChIInChI=1S/C10H20N2/c1-12-9-5-3-2-4-8(9)6-7-10(12)11/h8-10H,2-7,11H2,1H3/t8-,9?,10-/m0/s1
InChIKeyBSGXJJPWOIGZGT-SMILAEQMSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
The IUPAC name of (2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine (CID 22828494) is (2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine.
What is the SMILES notation for (2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
The canonical SMILES for (2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine is CN1C2CCCC[C@H]2CC[C@H]1N.
What is the InChIKey of (2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
The InChIKey is BSGXJJPWOIGZGT-SMILAEQMSA-N. The full InChI is InChI=1S/C10H20N2/c1-12-9-5-3-2-4-8(9)6-7-10(12)11/h8-10H,2-7,11H2,1H3/t8-,9?,10-/m0/s1.
What are the key properties of (2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
(2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine has a molecular weight of 168.28 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine is sourced from PubChem (CID 22828494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).