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

C15H23ClN2 — CID 57280667

IUPAC4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCCCN(CCC)C1CC=C2C(Cl)=CC=NC2C1
InChIInChI=1S/C15H23ClN2/c1-3-9-18(10-4-2)12-5-6-13-14(16)7-8-17-15(13)11-12/h6-8,12,15H,3-5,9-11H2,1-2H3
InChIKeyQWUZEIOMCMKVKQ-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.77
Rot. Bonds5

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

4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine (PubChem CID 57280667) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine.

Molecular Properties

Compound Name4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine
PubChem CID57280667
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCCCN(CCC)C1CC=C2C(Cl)=CC=NC2C1
InChIInChI=1S/C15H23ClN2/c1-3-9-18(10-4-2)12-5-6-13-14(16)7-8-17-15(13)11-12/h6-8,12,15H,3-5,9-11H2,1-2H3
InChIKeyQWUZEIOMCMKVKQ-UHFFFAOYSA-N
XLogP3.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The IUPAC name of 4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine (CID 57280667) is 4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine.
What is the SMILES notation for 4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The canonical SMILES for 4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine is CCCN(CCC)C1CC=C2C(Cl)=CC=NC2C1.
What is the InChIKey of 4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The InChIKey is QWUZEIOMCMKVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-9-18(10-4-2)12-5-6-13-14(16)7-8-17-15(13)11-12/h6-8,12,15H,3-5,9-11H2,1-2H3.
What are the key properties of 4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine?
4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine has a molecular weight of 266.82 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dipropyl-6,7,8,8a-tetrahydroquinolin-7-amine is sourced from PubChem (CID 57280667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).