N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine

C16H22N2 — CID 90065150

IUPACN-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine
SMILESCCc1cc(C(C)NC2CC2)nc2c1=CCCC=2
InChIInChI=1S/C16H22N2/c1-3-12-10-16(11(2)17-13-8-9-13)18-15-7-5-4-6-14(12)15/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3
InChIKeyFKSGIVQGVQWXGX-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.81
Rot. Bonds4

About N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine

N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine (PubChem CID 90065150) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine
PubChem CID90065150
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine
SMILESCCc1cc(C(C)NC2CC2)nc2c1=CCCC=2
InChIInChI=1S/C16H22N2/c1-3-12-10-16(11(2)17-13-8-9-13)18-15-7-5-4-6-14(12)15/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3
InChIKeyFKSGIVQGVQWXGX-UHFFFAOYSA-N
XLogP1.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine (CID 90065150) is N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine is CCc1cc(C(C)NC2CC2)nc2c1=CCCC=2.
What is the InChIKey of N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine?
The InChIKey is FKSGIVQGVQWXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-12-10-16(11(2)17-13-8-9-13)18-15-7-5-4-6-14(12)15/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3.
What are the key properties of N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine?
N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine has a molecular weight of 242.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 90065150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).