4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol

C16H24N2O — CID 55034873

IUPAC4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol
SMILESCN1CCc2cc(CNC3CCC(O)CC3)ccc21
InChIInChI=1S/C16H24N2O/c1-18-9-8-13-10-12(2-7-16(13)18)11-17-14-3-5-15(19)6-4-14/h2,7,10,14-15,17,19H,3-6,8-9,11H2,1H3
InChIKeyHSEWKTPFPOLJFC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.07
Rot. Bonds3

About 4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol

4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol (PubChem CID 55034873) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol
PubChem CID55034873
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol
SMILESCN1CCc2cc(CNC3CCC(O)CC3)ccc21
InChIInChI=1S/C16H24N2O/c1-18-9-8-13-10-12(2-7-16(13)18)11-17-14-3-5-15(19)6-4-14/h2,7,10,14-15,17,19H,3-6,8-9,11H2,1H3
InChIKeyHSEWKTPFPOLJFC-UHFFFAOYSA-N
XLogP2.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 63453890
2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 82725756
4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125778
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclopentan-1-amine
CID 115653008
N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide
CID 26360963
[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol
CID 103838416
2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 103864389
4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]-N-pentan-3-ylbenzamide
CID 176964380
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62095806
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 62096486
3-ethyl-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclopentan-1-amine
CID 64922905

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol (CID 55034873) is 4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol is CN1CCc2cc(CNC3CCC(O)CC3)ccc21.
What is the InChIKey of 4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol?
The InChIKey is HSEWKTPFPOLJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-9-8-13-10-12(2-7-16(13)18)11-17-14-3-5-15(19)6-4-14/h2,7,10,14-15,17,19H,3-6,8-9,11H2,1H3.
What are the key properties of 4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol?
4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 55034873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).