1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol

C18H28N2O — CID 70267764

IUPAC1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC1=CC=CC2C(CCNCC3(O)CCCCC3)=CNC12
InChIInChI=1S/C18H28N2O/c1-14-6-5-7-16-15(12-20-17(14)16)8-11-19-13-18(21)9-3-2-4-10-18/h5-7,12,16-17,19-21H,2-4,8-11,13H2,1H3
InChIKeyQYKISYSXJOITCK-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.65
Rot. Bonds5

About 1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol

1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 70267764) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID70267764
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC1=CC=CC2C(CCNCC3(O)CCCCC3)=CNC12
InChIInChI=1S/C18H28N2O/c1-14-6-5-7-16-15(12-20-17(14)16)8-11-19-13-18(21)9-3-2-4-10-18/h5-7,12,16-17,19-21H,2-4,8-11,13H2,1H3
InChIKeyQYKISYSXJOITCK-UHFFFAOYSA-N
XLogP2.65
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

6-Cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol
CID 70841846
5-Butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol
CID 175444228
1-[(Cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol
CID 107907104
1-[(Cyclohex-2-en-1-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 107907109

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol (CID 70267764) is 1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol is CC1=CC=CC2C(CCNCC3(O)CCCCC3)=CNC12.
What is the InChIKey of 1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is QYKISYSXJOITCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-6-5-7-16-15(12-20-17(14)16)8-11-19-13-18(21)9-3-2-4-10-18/h5-7,12,16-17,19-21H,2-4,8-11,13H2,1H3.
What are the key properties of 1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol?
1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 288.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 70267764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).