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

C18H28N2O — CID 106125778

IUPAC4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCN1CCCc2cc(CNCC3CCC(O)CC3)ccc21
InChIInChI=1S/C18H28N2O/c1-20-10-2-3-16-11-15(6-9-18(16)20)13-19-12-14-4-7-17(21)8-5-14/h6,9,11,14,17,19,21H,2-5,7-8,10,12-13H2,1H3
InChIKeyJHRDNKCVOPBHNR-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.71
Rot. Bonds4

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

4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106125778) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106125778
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCN1CCCc2cc(CNCC3CCC(O)CC3)ccc21
InChIInChI=1S/C18H28N2O/c1-20-10-2-3-16-11-15(6-9-18(16)20)13-19-12-14-4-7-17(21)8-5-14/h6,9,11,14,17,19,21H,2-5,7-8,10,12-13H2,1H3
InChIKeyJHRDNKCVOPBHNR-UHFFFAOYSA-N
XLogP2.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.71
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-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol
CID 55034873
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 62096486
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 63453890
2,2-dimethoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 62096866
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 62095490
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
CID 62072231
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine
CID 107386248
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide
CID 46966514
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
CID 62072227
2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]oxolan-3-amine
CID 115337256

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol (CID 106125778) is 4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol is CN1CCCc2cc(CNCC3CCC(O)CC3)ccc21.
What is the InChIKey of 4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is JHRDNKCVOPBHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20-10-2-3-16-11-15(6-9-18(16)20)13-19-12-14-4-7-17(21)8-5-14/h6,9,11,14,17,19,21H,2-5,7-8,10,12-13H2,1H3.
What are the key properties of 4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol?
4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106125778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).