1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol

C18H28N2O — CID 43203893

IUPAC1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCCCN1CCCC1
InChIInChI=1S/C18H28N2O/c1-13-6-7-16(21)18-15(12-14(2)17(13)18)19-8-5-11-20-9-3-4-10-20/h6-7,14-15,19,21H,3-5,8-12H2,1-2H3
InChIKeyPJSKQVXPSLZJSA-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.32
Rot. Bonds5

About 1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol

1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 43203893) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID43203893
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCCCN1CCCC1
InChIInChI=1S/C18H28N2O/c1-13-6-7-16(21)18-15(12-14(2)17(13)18)19-8-5-11-20-9-3-4-10-20/h6-7,14-15,19,21H,3-5,8-12H2,1-2H3
InChIKeyPJSKQVXPSLZJSA-UHFFFAOYSA-N
XLogP3.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,7-dimethyl-3-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 43195520
1,7-dimethyl-3-(pent-4-ynylamino)-2,3-dihydro-1H-inden-4-ol
CID 104582781
1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
CID 43189533
1,7-dimethyl-3-(3,3,3-trifluoropropylamino)-2,3-dihydro-1H-inden-4-ol
CID 63226189
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]-N,N-dimethylacetamide
CID 43310857
3-[(4-methoxyphenyl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 43824319
1,7-dimethyl-3-[(4-methyl-3-pyridinyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 114955019
1,7-dimethyl-3-[(4-methyloxan-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 104583359
3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64732473
tert-butyl N-[2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
CID 113429318
3-[(1,1-dioxothiolan-3-yl)methylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 61058395

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol (CID 43203893) is 1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2NCCCN1CCCC1.
What is the InChIKey of 1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is PJSKQVXPSLZJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-6-7-16(21)18-15(12-14(2)17(13)18)19-8-5-11-20-9-3-4-10-20/h6-7,14-15,19,21H,3-5,8-12H2,1-2H3.
What are the key properties of 1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol?
1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 288.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43203893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).