6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine

C17H24N4 — CID 62990608

IUPAC6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine
SMILESCC(CNc1ccc2ncccc2c1N)CN1CCCC1
InChIInChI=1S/C17H24N4/c1-13(12-21-9-2-3-10-21)11-20-16-7-6-15-14(17(16)18)5-4-8-19-15/h4-8,13,20H,2-3,9-12,18H2,1H3
InChIKeyRFOUNBWIANJTBU-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.96
Rot. Bonds5

About 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine

6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine (PubChem CID 62990608) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine
PubChem CID62990608
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine
SMILESCC(CNc1ccc2ncccc2c1N)CN1CCCC1
InChIInChI=1S/C17H24N4/c1-13(12-21-9-2-3-10-21)11-20-16-7-6-15-14(17(16)18)5-4-8-19-15/h4-8,13,20H,2-3,9-12,18H2,1H3
InChIKeyRFOUNBWIANJTBU-UHFFFAOYSA-N
XLogP2.96
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
CID 65034635
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine
CID 83066031
6-N-ethylquinoline-5,6-diamine
CID 43809532
6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine
CID 63928132
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
CID 65102906
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
6-N-(2-cyclohexylethyl)quinoline-5,6-diamine
CID 60919863
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
CID 80647967
6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine
CID 62848085
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
CID 106538482
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 62990067

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine (CID 62990608) is 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine is CC(CNc1ccc2ncccc2c1N)CN1CCCC1.
What is the InChIKey of 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine?
The InChIKey is RFOUNBWIANJTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13(12-21-9-2-3-10-21)11-20-16-7-6-15-14(17(16)18)5-4-8-19-15/h4-8,13,20H,2-3,9-12,18H2,1H3.
What are the key properties of 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine?
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-5,6-diamine is sourced from PubChem (CID 62990608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).