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

C18H30N2O — CID 106114459

IUPAC3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C18H30N2O/c1-3-5-15(9-11-21)13-19-14-16-7-8-18-17(12-16)6-4-10-20(18)2/h7-8,12,15,19,21H,3-6,9-11,13-14H2,1-2H3
InChIKeyKBWANCPHFISWBT-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.96
Rot. Bonds8

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

3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol (PubChem CID 106114459) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol
PubChem CID106114459
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C18H30N2O/c1-3-5-15(9-11-21)13-19-14-16-7-8-18-17(12-16)6-4-10-20(18)2/h7-8,12,15,19,21H,3-6,9-11,13-14H2,1-2H3
InChIKeyKBWANCPHFISWBT-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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 3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol with MolForge

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Related Compounds

1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol
CID 115756799
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide
CID 106170985
2,2-dimethoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 62096866
4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol
CID 106349009
2-methyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 65031805
3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine
CID 62097585
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-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
CID 103707936
2-N,2-N-dimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propane-1,2-diamine
CID 55035111

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol (CID 106114459) is 3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol is CCCC(CCO)CNCc1ccc2c(c1)CCCN2C.
What is the InChIKey of 3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol?
The InChIKey is KBWANCPHFISWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-5-15(9-11-21)13-19-14-16-7-8-18-17(12-16)6-4-10-20(18)2/h7-8,12,15,19,21H,3-6,9-11,13-14H2,1-2H3.
What are the key properties of 3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol?
3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol is sourced from PubChem (CID 106114459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).