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

C13H20N2 — CID 57055610

IUPACN-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCCCN(C)C1CC=C2C=CC=NC2C1
InChIInChI=1S/C13H20N2/c1-3-9-15(2)12-7-6-11-5-4-8-14-13(11)10-12/h4-6,8,12-13H,3,7,9-10H2,1-2H3
InChIKeyQQSROHYNFUWLKL-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.43
Rot. Bonds3

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

N-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine (PubChem CID 57055610) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine.

Molecular Properties

Compound NameN-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine
PubChem CID57055610
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCCCN(C)C1CC=C2C=CC=NC2C1
InChIInChI=1S/C13H20N2/c1-3-9-15(2)12-7-6-11-5-4-8-14-13(11)10-12/h4-6,8,12-13H,3,7,9-10H2,1-2H3
InChIKeyQQSROHYNFUWLKL-UHFFFAOYSA-N
XLogP2.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The IUPAC name of N-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine (CID 57055610) is N-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine.
What is the SMILES notation for N-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The canonical SMILES for N-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine is CCCN(C)C1CC=C2C=CC=NC2C1.
What is the InChIKey of N-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The InChIKey is QQSROHYNFUWLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-9-15(2)12-7-6-11-5-4-8-14-13(11)10-12/h4-6,8,12-13H,3,7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine?
N-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine has a molecular weight of 204.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine is sourced from PubChem (CID 57055610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).