N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine

C12H18N2 — CID 57021708

IUPACN-propyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCCCNC1CC=C2C=CC=NC2C1
InChIInChI=1S/C12H18N2/c1-2-7-13-11-6-5-10-4-3-8-14-12(10)9-11/h3-5,8,11-13H,2,6-7,9H2,1H3
InChIKeyMOWMRUIDLGZOAY-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.08
Rot. Bonds3

About N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine

N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine (PubChem CID 57021708) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine.

Molecular Properties

Compound NameN-propyl-6,7,8,8a-tetrahydroquinolin-7-amine
PubChem CID57021708
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-propyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCCCNC1CC=C2C=CC=NC2C1
InChIInChI=1S/C12H18N2/c1-2-7-13-11-6-5-10-4-3-8-14-12(10)9-11/h3-5,8,11-13H,2,6-7,9H2,1H3
InChIKeyMOWMRUIDLGZOAY-UHFFFAOYSA-N
XLogP2.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The IUPAC name of N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine (CID 57021708) is N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine.
What is the SMILES notation for N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The canonical SMILES for N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine is CCCNC1CC=C2C=CC=NC2C1.
What is the InChIKey of N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The InChIKey is MOWMRUIDLGZOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-7-13-11-6-5-10-4-3-8-14-12(10)9-11/h3-5,8,11-13H,2,6-7,9H2,1H3.
What are the key properties of N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine?
N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine has a molecular weight of 190.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine is sourced from PubChem (CID 57021708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).