3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

C19H29NO — CID 64732473

IUPAC3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NC1CC(C)CC(C)C1
InChIInChI=1S/C19H29NO/c1-11-7-12(2)9-15(8-11)20-16-10-14(4)18-13(3)5-6-17(21)19(16)18/h5-6,11-12,14-16,20-21H,7-10H2,1-4H3
InChIKeyUXVWURXJQYXZHL-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.66
Rot. Bonds2

About 3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 64732473) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID64732473
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NC1CC(C)CC(C)C1
InChIInChI=1S/C19H29NO/c1-11-7-12(2)9-15(8-11)20-16-10-14(4)18-13(3)5-6-17(21)19(16)18/h5-6,11-12,14-16,20-21H,7-10H2,1-4H3
InChIKeyUXVWURXJQYXZHL-UHFFFAOYSA-N
XLogP4.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 43499586
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid
CID 54959865
1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
CID 43189533
3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64922351
3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 113429324
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
CID 43135104
methyl (2S)-2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 43723736
1,7-dimethyl-3-(2-methylpropoxyamino)-2,3-dihydro-1H-inden-4-ol
CID 82711556
1,7-dimethyl-3-(3,3,3-trifluoropropylamino)-2,3-dihydro-1H-inden-4-ol
CID 63226189
1,7-dimethyl-3-(2,4,4-trimethylpentan-2-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43731248
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 16777146
3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64913231

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 64732473) is 3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2NC1CC(C)CC(C)C1.
What is the InChIKey of 3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is UXVWURXJQYXZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-11-7-12(2)9-15(8-11)20-16-10-14(4)18-13(3)5-6-17(21)19(16)18/h5-6,11-12,14-16,20-21H,7-10H2,1-4H3.
What are the key properties of 3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 287.45 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 64732473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).