1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine

C16H23N3 — CID 55173421

IUPAC1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine
SMILESCc1cc2ccccc2nc1NC(C)CCN(C)C
InChIInChI=1S/C16H23N3/c1-12-11-14-7-5-6-8-15(14)18-16(12)17-13(2)9-10-19(3)4/h5-8,11,13H,9-10H2,1-4H3,(H,17,18)
InChIKeyGDKWPROBIQDEJZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.30
Rot. Bonds5

About 1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine

1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine (PubChem CID 55173421) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine
PubChem CID55173421
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine
SMILESCc1cc2ccccc2nc1NC(C)CCN(C)C
InChIInChI=1S/C16H23N3/c1-12-11-14-7-5-6-8-15(14)18-16(12)17-13(2)9-10-19(3)4/h5-8,11,13H,9-10H2,1-4H3,(H,17,18)
InChIKeyGDKWPROBIQDEJZ-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine (CID 55173421) is 1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine is Cc1cc2ccccc2nc1NC(C)CCN(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine?
The InChIKey is GDKWPROBIQDEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-11-14-7-5-6-8-15(14)18-16(12)17-13(2)9-10-19(3)4/h5-8,11,13H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine?
1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine has a molecular weight of 257.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine is sourced from PubChem (CID 55173421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).