5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine

C15H21N3 — CID 43382839

IUPAC5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine
SMILESCCCN(c1ccc(N)c2ncccc12)C(C)C
InChIInChI=1S/C15H21N3/c1-4-10-18(11(2)3)14-8-7-13(16)15-12(14)6-5-9-17-15/h5-9,11H,4,10,16H2,1-3H3
InChIKeyJSANHWBRGBBPQD-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.44
Rot. Bonds4

About 5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine

5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine (PubChem CID 43382839) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine
PubChem CID43382839
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine
SMILESCCCN(c1ccc(N)c2ncccc12)C(C)C
InChIInChI=1S/C15H21N3/c1-4-10-18(11(2)3)14-8-7-13(16)15-12(14)6-5-9-17-15/h5-9,11H,4,10,16H2,1-3H3
InChIKeyJSANHWBRGBBPQD-UHFFFAOYSA-N
XLogP3.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine
CID 63402856
5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine
CID 43382753
5-N-ethyl-5-N-(2-methylbutyl)quinoline-5,8-diamine
CID 79477409
5-N-[1-(dimethylamino)propan-2-yl]quinoline-5,8-diamine
CID 82945198
5-N-cyclopentyl-5-N-methylquinoline-5,8-diamine
CID 43382838
2-[(8-aminoquinolin-5-yl)-(cyanomethyl)amino]acetonitrile
CID 43382828
5-propylsulfonylquinolin-8-amine
CID 43449396
5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine
CID 43563386
5-propan-2-ylsulfanylquinolin-8-amine
CID 60886799
5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine
CID 61436706
8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine
CID 79477632
8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine
CID 81059066

Frequently Asked Questions

What is the IUPAC name of 5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine?
The IUPAC name of 5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine (CID 43382839) is 5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine.
What is the SMILES notation for 5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine?
The canonical SMILES for 5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine is CCCN(c1ccc(N)c2ncccc12)C(C)C.
What is the InChIKey of 5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine?
The InChIKey is JSANHWBRGBBPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-10-18(11(2)3)14-8-7-13(16)15-12(14)6-5-9-17-15/h5-9,11H,4,10,16H2,1-3H3.
What are the key properties of 5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine?
5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine has a molecular weight of 243.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine is sourced from PubChem (CID 43382839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).