[3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol

C18H26N2O — CID 107235623

IUPAC[3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cn(C)c3ccccc23)C1
InChIInChI=1S/C18H26N2O/c1-14-6-5-9-18(10-14,13-21)19-11-15-12-20(2)17-8-4-3-7-16(15)17/h3-4,7-8,12,14,19,21H,5-6,9-11,13H2,1-2H3
InChIKeyDHOCYATZORFQCJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.21
Rot. Bonds4

About [3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol

[3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol (PubChem CID 107235623) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol
PubChem CID107235623
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cn(C)c3ccccc23)C1
InChIInChI=1S/C18H26N2O/c1-14-6-5-9-18(10-14,13-21)19-11-15-12-20(2)17-8-4-3-7-16(15)17/h3-4,7-8,12,14,19,21H,5-6,9-11,13H2,1-2H3
InChIKeyDHOCYATZORFQCJ-UHFFFAOYSA-N
XLogP3.21
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[[(1-methylindol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 107235815
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 107235903
[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol
CID 66410290
[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 65316349
[3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol
CID 113483028
[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 62552994
[1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol
CID 80648578
[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699549
[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol
CID 62553513

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol (CID 107235623) is [3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol is CC1CCCC(CO)(NCc2cn(C)c3ccccc23)C1.
What is the InChIKey of [3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol?
The InChIKey is DHOCYATZORFQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-6-5-9-18(10-14,13-21)19-11-15-12-20(2)17-8-4-3-7-16(15)17/h3-4,7-8,12,14,19,21H,5-6,9-11,13H2,1-2H3.
What are the key properties of [3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol?
[3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol has a molecular weight of 286.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 107235623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).