N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine

C15H21N3 — CID 63229477

IUPACN-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
SMILESCCNCCCNc1nc2ccccc2cc1C
InChIInChI=1S/C15H21N3/c1-3-16-9-6-10-17-15-12(2)11-13-7-4-5-8-14(13)18-15/h4-5,7-8,11,16H,3,6,9-10H2,1-2H3,(H,17,18)
InChIKeyUSLJKRLOPRTOMO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.95
Rot. Bonds6

About N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine

N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine (PubChem CID 63229477) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
PubChem CID63229477
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
SMILESCCNCCCNc1nc2ccccc2cc1C
InChIInChI=1S/C15H21N3/c1-3-16-9-6-10-17-15-12(2)11-13-7-4-5-8-14(13)18-15/h4-5,7-8,11,16H,3,6,9-10H2,1-2H3,(H,17,18)
InChIKeyUSLJKRLOPRTOMO-UHFFFAOYSA-N
XLogP2.95
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine (CID 63229477) is N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine is CCNCCCNc1nc2ccccc2cc1C.
What is the InChIKey of N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine?
The InChIKey is USLJKRLOPRTOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-16-9-6-10-17-15-12(2)11-13-7-4-5-8-14(13)18-15/h4-5,7-8,11,16H,3,6,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine?
N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine has a molecular weight of 243.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 63229477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).