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

C16H26N2 — CID 57216572

IUPAC4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCCCN(CCC)C1CC=C2C(C)=CC=NC2C1
InChIInChI=1S/C16H26N2/c1-4-10-18(11-5-2)14-6-7-15-13(3)8-9-17-16(15)12-14/h7-9,14,16H,4-6,10-12H2,1-3H3
InChIKeyOBKHTRVGMOSCFB-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.60
Rot. Bonds5

About 4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine

4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine (PubChem CID 57216572) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine.

Molecular Properties

Compound Name4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine
PubChem CID57216572
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCCCN(CCC)C1CC=C2C(C)=CC=NC2C1
InChIInChI=1S/C16H26N2/c1-4-10-18(11-5-2)14-6-7-15-13(3)8-9-17-16(15)12-14/h7-9,14,16H,4-6,10-12H2,1-3H3
InChIKeyOBKHTRVGMOSCFB-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 4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The IUPAC name of 4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine (CID 57216572) is 4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine.
What is the SMILES notation for 4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The canonical SMILES for 4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine is CCCN(CCC)C1CC=C2C(C)=CC=NC2C1.
What is the InChIKey of 4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The InChIKey is OBKHTRVGMOSCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-10-18(11-5-2)14-6-7-15-13(3)8-9-17-16(15)12-14/h7-9,14,16H,4-6,10-12H2,1-3H3.
What are the key properties of 4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine?
4-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 4-methyl-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine is sourced from PubChem (CID 57216572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).