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

C12H24N2 — CID 170310902

IUPAC1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine
SMILESCC(C)N1C(N)CCC2CCCCC21
InChIInChI=1S/C12H24N2/c1-9(2)14-11-6-4-3-5-10(11)7-8-12(14)13/h9-12H,3-8,13H2,1-2H3
InChIKeyXQQWYQDLPLDAPQ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.33
Rot. Bonds1

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

1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine (PubChem CID 170310902) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine.

Molecular Properties

Compound Name1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine
PubChem CID170310902
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine
SMILESCC(C)N1C(N)CCC2CCCCC21
InChIInChI=1S/C12H24N2/c1-9(2)14-11-6-4-3-5-10(11)7-8-12(14)13/h9-12H,3-8,13H2,1-2H3
InChIKeyXQQWYQDLPLDAPQ-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
The IUPAC name of 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine (CID 170310902) is 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine.
What is the SMILES notation for 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
The canonical SMILES for 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine is CC(C)N1C(N)CCC2CCCCC21.
What is the InChIKey of 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
The InChIKey is XQQWYQDLPLDAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(2)14-11-6-4-3-5-10(11)7-8-12(14)13/h9-12H,3-8,13H2,1-2H3.
What are the key properties of 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine has a molecular weight of 196.34 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine is sourced from PubChem (CID 170310902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).