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

C16H23N3 — CID 106165971

IUPAC3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine
SMILESCCC(C)(CCN)Nc1nc2ccccc2cc1C
InChIInChI=1S/C16H23N3/c1-4-16(3,9-10-17)19-15-12(2)11-13-7-5-6-8-14(13)18-15/h5-8,11H,4,9-10,17H2,1-3H3,(H,18,19)
InChIKeyMZFXUOFKIZXZQB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.47
Rot. Bonds5

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

3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine (PubChem CID 106165971) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine
PubChem CID106165971
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine
SMILESCCC(C)(CCN)Nc1nc2ccccc2cc1C
InChIInChI=1S/C16H23N3/c1-4-16(3,9-10-17)19-15-12(2)11-13-7-5-6-8-14(13)18-15/h5-8,11H,4,9-10,17H2,1-3H3,(H,18,19)
InChIKeyMZFXUOFKIZXZQB-UHFFFAOYSA-N
XLogP3.47
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine (CID 106165971) is 3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine is CCC(C)(CCN)Nc1nc2ccccc2cc1C.
What is the InChIKey of 3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine?
The InChIKey is MZFXUOFKIZXZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-16(3,9-10-17)19-15-12(2)11-13-7-5-6-8-14(13)18-15/h5-8,11H,4,9-10,17H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine?
3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine has a molecular weight of 257.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine is sourced from PubChem (CID 106165971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).