N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine

C18H27N3 — CID 78943020

IUPACN',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1cc(C)nc2ccccc12
InChIInChI=1S/C18H27N3/c1-4-21(5-2)12-8-11-19-14-16-13-15(3)20-18-10-7-6-9-17(16)18/h6-7,9-10,13,19H,4-5,8,11-12,14H2,1-3H3
InChIKeyKACBAMGWUKFLMC-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.36
Rot. Bonds8

About N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine

N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine (PubChem CID 78943020) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
PubChem CID78943020
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1cc(C)nc2ccccc12
InChIInChI=1S/C18H27N3/c1-4-21(5-2)12-8-11-19-14-16-13-15(3)20-18-10-7-6-9-17(16)18/h6-7,9-10,13,19H,4-5,8,11-12,14H2,1-3H3
InChIKeyKACBAMGWUKFLMC-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
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
1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
CID 112810281
bis(N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine);hydrate;tetrahydrochloride
CID 67663947
N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride
CID 67663946
N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine
CID 82449062
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 115767728
2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide
CID 78942753
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine (CID 78943020) is N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine is CCN(CC)CCCNCc1cc(C)nc2ccccc12.
What is the InChIKey of N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine?
The InChIKey is KACBAMGWUKFLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-21(5-2)12-8-11-19-14-16-13-15(3)20-18-10-7-6-9-17(16)18/h6-7,9-10,13,19H,4-5,8,11-12,14H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine?
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine has a molecular weight of 285.44 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 78943020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).