methanol;2-methylpropane;quinoline-2,6-diamine

C14H23N3O — CID 143375895

IUPACmethanol;2-methylpropane;quinoline-2,6-diamine
SMILESCC(C)C.CO.Nc1ccc2nc(N)ccc2c1
InChIInChI=1S/C9H9N3.C4H10.CH4O/c10-7-2-3-8-6(5-7)1-4-9(11)12-8;1-4(2)3;1-2/h1-5H,10H2,(H2,11,12);4H,1-3H3;2H,1H3
InChIKeyQCYYMPPPNNIPJS-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.67
Rot. Bonds

About methanol;2-methylpropane;quinoline-2,6-diamine

methanol;2-methylpropane;quinoline-2,6-diamine (PubChem CID 143375895) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is methanol;2-methylpropane;quinoline-2,6-diamine.

Molecular Properties

Compound Namemethanol;2-methylpropane;quinoline-2,6-diamine
PubChem CID143375895
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Namemethanol;2-methylpropane;quinoline-2,6-diamine
SMILESCC(C)C.CO.Nc1ccc2nc(N)ccc2c1
InChIInChI=1S/C9H9N3.C4H10.CH4O/c10-7-2-3-8-6(5-7)1-4-9(11)12-8;1-4(2)3;1-2/h1-5H,10H2,(H2,11,12);4H,1-3H3;2H,1H3
InChIKeyQCYYMPPPNNIPJS-UHFFFAOYSA-N
XLogP2.67
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

quinoline-2,6-diamine
CID 22018948
2-(2-methylpropoxy)quinolin-6-amine
CID 43451075
(6-aminoquinolin-2-yl)methanol
CID 22763701
6-ethylquinolin-2-amine
CID 58257790
2-amino-N'-methylquinoline-6-carboximidamide
CID 139555651
2-propylquinolin-6-amine
CID 130537701
2-(4-methylpentoxy)quinolin-6-amine
CID 43383054
2-(4-amino-3-methylphenyl)quinolin-6-amine
CID 121321855
1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol
CID 112624178
2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine
CID 43613779
2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide
CID 62143579
2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
CID 62149054

Frequently Asked Questions

What is the IUPAC name of methanol;2-methylpropane;quinoline-2,6-diamine?
The IUPAC name of methanol;2-methylpropane;quinoline-2,6-diamine (CID 143375895) is methanol;2-methylpropane;quinoline-2,6-diamine.
What is the SMILES notation for methanol;2-methylpropane;quinoline-2,6-diamine?
The canonical SMILES for methanol;2-methylpropane;quinoline-2,6-diamine is CC(C)C.CO.Nc1ccc2nc(N)ccc2c1.
What is the InChIKey of methanol;2-methylpropane;quinoline-2,6-diamine?
The InChIKey is QCYYMPPPNNIPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.C4H10.CH4O/c10-7-2-3-8-6(5-7)1-4-9(11)12-8;1-4(2)3;1-2/h1-5H,10H2,(H2,11,12);4H,1-3H3;2H,1H3.
What are the key properties of methanol;2-methylpropane;quinoline-2,6-diamine?
methanol;2-methylpropane;quinoline-2,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.67, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methylpropane;quinoline-2,6-diamine is sourced from PubChem (CID 143375895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).