N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine

C15H19N5 — CID 71085783

IUPACN'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine
SMILESCC(C)Cn1cnc2c(NCN)nc3ccccc3c21
InChIInChI=1S/C15H19N5/c1-10(2)7-20-9-18-13-14(20)11-5-3-4-6-12(11)19-15(13)17-8-16/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyCCLLIALWVWSNTL-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.57
Rot. Bonds4

About N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine

N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine (PubChem CID 71085783) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine.

Molecular Properties

Compound NameN'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine
PubChem CID71085783
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine
SMILESCC(C)Cn1cnc2c(NCN)nc3ccccc3c21
InChIInChI=1S/C15H19N5/c1-10(2)7-20-9-18-13-14(20)11-5-3-4-6-12(11)19-15(13)17-8-16/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyCCLLIALWVWSNTL-UHFFFAOYSA-N
XLogP2.57
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine?
The IUPAC name of N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine (CID 71085783) is N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine.
What is the SMILES notation for N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine?
The canonical SMILES for N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine is CC(C)Cn1cnc2c(NCN)nc3ccccc3c21.
What is the InChIKey of N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine?
The InChIKey is CCLLIALWVWSNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-10(2)7-20-9-18-13-14(20)11-5-3-4-6-12(11)19-15(13)17-8-16/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19).
What are the key properties of N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine?
N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine has a molecular weight of 269.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]methanediamine is sourced from PubChem (CID 71085783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).