N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine

C15H21N3 — CID 113405208

IUPACN-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
SMILESCCNCCNCc1cc(C)nc2ccccc12
InChIInChI=1S/C15H21N3/c1-3-16-8-9-17-11-13-10-12(2)18-15-7-5-4-6-14(13)15/h4-7,10,16-17H,3,8-9,11H2,1-2H3
InChIKeyOEEFIHVIXMNZTR-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.24
Rot. Bonds6

About N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine

N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine (PubChem CID 113405208) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
PubChem CID113405208
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
SMILESCCNCCNCc1cc(C)nc2ccccc12
InChIInChI=1S/C15H21N3/c1-3-16-8-9-17-11-13-10-12(2)18-15-7-5-4-6-14(13)15/h4-7,10,16-17H,3,8-9,11H2,1-2H3
InChIKeyOEEFIHVIXMNZTR-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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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Related Compounds

N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 79033204
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
CID 79235448
2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 78942785
2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide
CID 78942753
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
N-[(6-chloro-2-methylquinolin-4-yl)methyl]ethanamine
CID 82449107
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 115767728
1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978652

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine (CID 113405208) is N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine is CCNCCNCc1cc(C)nc2ccccc12.
What is the InChIKey of N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is OEEFIHVIXMNZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-16-8-9-17-11-13-10-12(2)18-15-7-5-4-6-14(13)15/h4-7,10,16-17H,3,8-9,11H2,1-2H3.
What are the key properties of N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine?
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 243.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 113405208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).