4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine

C15H21N3 — CID 83060957

IUPAC4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine
SMILESCCC(CC)N(C)c1ccnc2c(N)cccc12
InChIInChI=1S/C15H21N3/c1-4-11(5-2)18(3)14-9-10-17-15-12(14)7-6-8-13(15)16/h6-11H,4-5,16H2,1-3H3
InChIKeyNWTMSUJIGDMOEX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.44
Rot. Bonds4

About 4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine

4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine (PubChem CID 83060957) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine
PubChem CID83060957
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine
SMILESCCC(CC)N(C)c1ccnc2c(N)cccc12
InChIInChI=1S/C15H21N3/c1-4-11(5-2)18(3)14-9-10-17-15-12(14)7-6-8-13(15)16/h6-11H,4-5,16H2,1-3H3
InChIKeyNWTMSUJIGDMOEX-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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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine?
The IUPAC name of 4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine (CID 83060957) is 4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine.
What is the SMILES notation for 4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine?
The canonical SMILES for 4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine is CCC(CC)N(C)c1ccnc2c(N)cccc12.
What is the InChIKey of 4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine?
The InChIKey is NWTMSUJIGDMOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-11(5-2)18(3)14-9-10-17-15-12(14)7-6-8-13(15)16/h6-11H,4-5,16H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine?
4-N-methyl-4-N-pentan-3-ylquinoline-4,8-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 4-N-methyl-4-N-pentan-3-ylquinoline-4,8-diamine is sourced from PubChem (CID 83060957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).