4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol

C18H30N2O — CID 106349009

IUPAC4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol
SMILESCN1CCCc2cc(CNC(CCO)C(C)(C)C)ccc21
InChIInChI=1S/C18H30N2O/c1-18(2,3)17(9-11-21)19-13-14-7-8-16-15(12-14)6-5-10-20(16)4/h7-8,12,17,19,21H,5-6,9-11,13H2,1-4H3
InChIKeyIMVUCMOOQVHTDB-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.96
Rot. Bonds5

About 4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol

4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol (PubChem CID 106349009) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol
PubChem CID106349009
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol
SMILESCN1CCCc2cc(CNC(CCO)C(C)(C)C)ccc21
InChIInChI=1S/C18H30N2O/c1-18(2,3)17(9-11-21)19-13-14-7-8-16-15(12-14)6-5-10-20(16)4/h7-8,12,17,19,21H,5-6,9-11,13H2,1-4H3
InChIKeyIMVUCMOOQVHTDB-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol with MolForge

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Related Compounds

4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 106156668
(2R)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 113498869
3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol
CID 106114459
6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
CID 63421316
[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol
CID 62096158
4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol
CID 62094965
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
(1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 81390953
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106348863
4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid
CID 62095154
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide
CID 62097569

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol (CID 106349009) is 4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol is CN1CCCc2cc(CNC(CCO)C(C)(C)C)ccc21.
What is the InChIKey of 4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol?
The InChIKey is IMVUCMOOQVHTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,3)17(9-11-21)19-13-14-7-8-16-15(12-14)6-5-10-20(16)4/h7-8,12,17,19,21H,5-6,9-11,13H2,1-4H3.
What are the key properties of 4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol?
4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 106349009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).