2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine

C16H21N3 — CID 114543215

IUPAC2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine
SMILESCc1cc(NC2CCC(C)C2)c2cc(N)ccc2n1
InChIInChI=1S/C16H21N3/c1-10-3-5-13(7-10)19-16-8-11(2)18-15-6-4-12(17)9-14(15)16/h4,6,8-10,13H,3,5,7,17H2,1-2H3,(H,18,19)
InChIKeyVKZPQRXTXSXZJK-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.73
Rot. Bonds2

About 2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine

2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine (PubChem CID 114543215) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine
PubChem CID114543215
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine
SMILESCc1cc(NC2CCC(C)C2)c2cc(N)ccc2n1
InChIInChI=1S/C16H21N3/c1-10-3-5-13(7-10)19-16-8-11(2)18-15-6-4-12(17)9-14(15)16/h4,6,8-10,13H,3,5,7,17H2,1-2H3,(H,18,19)
InChIKeyVKZPQRXTXSXZJK-UHFFFAOYSA-N
XLogP3.73
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3-methylcyclohexyl)quinolin-4-amine
CID 43428308
2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine
CID 114543163
4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid
CID 114550813
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine
CID 22417903
5-amino-2-[(3-methylcyclopentyl)amino]benzamide
CID 114550804
2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine
CID 107294982
2-N-(3-methylcyclopentyl)pyridine-2,4-diamine
CID 114543200
4-N-(2,2-difluoroethyl)-2-methylquinoline-4,6-diamine
CID 113383859
4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060187
6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
CID 133394331
2-methyl-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 71899433

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine (CID 114543215) is 2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine is Cc1cc(NC2CCC(C)C2)c2cc(N)ccc2n1.
What is the InChIKey of 2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine?
The InChIKey is VKZPQRXTXSXZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-10-3-5-13(7-10)19-16-8-11(2)18-15-6-4-12(17)9-14(15)16/h4,6,8-10,13H,3,5,7,17H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine?
2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine has a molecular weight of 255.36 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine is sourced from PubChem (CID 114543215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).