3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine

C16H26N2 — CID 57074375

IUPAC3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCCCN(CCC)C1CC=C2C=C(C)C=NC2C1
InChIInChI=1S/C16H26N2/c1-4-8-18(9-5-2)15-7-6-14-10-13(3)12-17-16(14)11-15/h6,10,12,15-16H,4-5,7-9,11H2,1-3H3
InChIKeySBPOFMYNJVIVEQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.60
Rot. Bonds5

About 3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine

3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine (PubChem CID 57074375) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine.

Molecular Properties

Compound Name3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine
PubChem CID57074375
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCCCN(CCC)C1CC=C2C=C(C)C=NC2C1
InChIInChI=1S/C16H26N2/c1-4-8-18(9-5-2)15-7-6-14-10-13(3)12-17-16(14)11-15/h6,10,12,15-16H,4-5,7-9,11H2,1-3H3
InChIKeySBPOFMYNJVIVEQ-UHFFFAOYSA-N
XLogP3.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The IUPAC name of 3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine (CID 57074375) is 3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine.
What is the SMILES notation for 3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The canonical SMILES for 3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine is CCCN(CCC)C1CC=C2C=C(C)C=NC2C1.
What is the InChIKey of 3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The InChIKey is SBPOFMYNJVIVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-8-18(9-5-2)15-7-6-14-10-13(3)12-17-16(14)11-15/h6,10,12,15-16H,4-5,7-9,11H2,1-3H3.
What are the key properties of 3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine?
3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine has a molecular weight of 246.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine is sourced from PubChem (CID 57074375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).