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

C14H19N3 — CID 63730578

IUPAC1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
SMILESCCC(N)CNc1nc2ccccc2cc1C
InChIInChI=1S/C14H19N3/c1-3-12(15)9-16-14-10(2)8-11-6-4-5-7-13(11)17-14/h4-8,12H,3,9,15H2,1-2H3,(H,16,17)
InChIKeyIPMHDPXYGAPTCM-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.69
Rot. Bonds4

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

1-N-(3-methylquinolin-2-yl)butane-1,2-diamine (PubChem CID 63730578) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-N-(3-methylquinolin-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
PubChem CID63730578
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
SMILESCCC(N)CNc1nc2ccccc2cc1C
InChIInChI=1S/C14H19N3/c1-3-12(15)9-16-14-10(2)8-11-6-4-5-7-13(11)17-14/h4-8,12H,3,9,15H2,1-2H3,(H,16,17)
InChIKeyIPMHDPXYGAPTCM-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylquinolin-2-yl)butane-1,2-diamine?
The IUPAC name of 1-N-(3-methylquinolin-2-yl)butane-1,2-diamine (CID 63730578) is 1-N-(3-methylquinolin-2-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methylquinolin-2-yl)butane-1,2-diamine?
The canonical SMILES for 1-N-(3-methylquinolin-2-yl)butane-1,2-diamine is CCC(N)CNc1nc2ccccc2cc1C.
What is the InChIKey of 1-N-(3-methylquinolin-2-yl)butane-1,2-diamine?
The InChIKey is IPMHDPXYGAPTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-12(15)9-16-14-10(2)8-11-6-4-5-7-13(11)17-14/h4-8,12H,3,9,15H2,1-2H3,(H,16,17).
What are the key properties of 1-N-(3-methylquinolin-2-yl)butane-1,2-diamine?
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine has a molecular weight of 229.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylquinolin-2-yl)butane-1,2-diamine is sourced from PubChem (CID 63730578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).