6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine

C10H16N2 — CID 22967243

IUPAC6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine
SMILESCC1=C(N)C2CCCNC2C=C1
InChIInChI=1S/C10H16N2/c1-7-4-5-9-8(10(7)11)3-2-6-12-9/h4-5,8-9,12H,2-3,6,11H2,1H3
InChIKeyPQCWIUPIKOPIHC-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.16
Rot. Bonds

About 6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine

6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine (PubChem CID 22967243) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine.

Molecular Properties

Compound Name6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine
PubChem CID22967243
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine
SMILESCC1=C(N)C2CCCNC2C=C1
InChIInChI=1S/C10H16N2/c1-7-4-5-9-8(10(7)11)3-2-6-12-9/h4-5,8-9,12H,2-3,6,11H2,1H3
InChIKeyPQCWIUPIKOPIHC-UHFFFAOYSA-N
XLogP1.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine?
The IUPAC name of 6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine (CID 22967243) is 6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine.
What is the SMILES notation for 6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine?
The canonical SMILES for 6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine is CC1=C(N)C2CCCNC2C=C1.
What is the InChIKey of 6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine?
The InChIKey is PQCWIUPIKOPIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7-4-5-9-8(10(7)11)3-2-6-12-9/h4-5,8-9,12H,2-3,6,11H2,1H3.
What are the key properties of 6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine?
6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine has a molecular weight of 164.25 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine is sourced from PubChem (CID 22967243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).