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

C17H25N3 — CID 106287148

IUPAC3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1nc2ccccc2cc1C
InChIInChI=1S/C17H25N3/c1-4-13(5-2)15(18)11-19-17-12(3)10-14-8-6-7-9-16(14)20-17/h6-10,13,15H,4-5,11,18H2,1-3H3,(H,19,20)
InChIKeyCLJJOZBKMZVXKD-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.72
Rot. Bonds6

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

3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine (PubChem CID 106287148) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine
PubChem CID106287148
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1nc2ccccc2cc1C
InChIInChI=1S/C17H25N3/c1-4-13(5-2)15(18)11-19-17-12(3)10-14-8-6-7-9-16(14)20-17/h6-10,13,15H,4-5,11,18H2,1-3H3,(H,19,20)
InChIKeyCLJJOZBKMZVXKD-UHFFFAOYSA-N
XLogP3.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine
CID 115764309
1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol
CID 63296727
N-[(2-ethylphenyl)methyl]-3-methylquinolin-2-amine
CID 64693443
3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
CID 106286875
3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine
CID 106165971
N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine
CID 63767208
N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63229477
3-(3-methylquinolin-2-yl)pentan-2-amine
CID 63229404
3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine
CID 106293889
2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 64550319
3-methyl-N-(7-methyloctyl)quinolin-2-amine
CID 107816294

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine (CID 106287148) is 3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine is CCC(CC)C(N)CNc1nc2ccccc2cc1C.
What is the InChIKey of 3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine?
The InChIKey is CLJJOZBKMZVXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-13(5-2)15(18)11-19-17-12(3)10-14-8-6-7-9-16(14)20-17/h6-10,13,15H,4-5,11,18H2,1-3H3,(H,19,20).
What are the key properties of 3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine?
3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine has a molecular weight of 271.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 106287148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).