5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol

C14H18N2O — CID 96600513

IUPAC5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol
SMILESCc1c[nH]c2ccc(C3(N)CCCC3)c(O)c12
InChIInChI=1S/C14H18N2O/c1-9-8-16-11-5-4-10(13(17)12(9)11)14(15)6-2-3-7-14/h4-5,8,16-17H,2-3,6-7,15H2,1H3
InChIKeyLGJCDVVHZZEWHO-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.91
Rot. Bonds1

About 5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol

5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol (PubChem CID 96600513) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol.

Molecular Properties

Compound Name5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol
PubChem CID96600513
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol
SMILESCc1c[nH]c2ccc(C3(N)CCCC3)c(O)c12
InChIInChI=1S/C14H18N2O/c1-9-8-16-11-5-4-10(13(17)12(9)11)14(15)6-2-3-7-14/h4-5,8,16-17H,2-3,6-7,15H2,1H3
InChIKeyLGJCDVVHZZEWHO-UHFFFAOYSA-N
XLogP2.91
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.91
H-Bond Donors ≤ 53
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-aminocyclopentyl)-6-fluorobenzene-1,2-diol
CID 117301232
3-(1-aminocyclohexyl)-6-fluorobenzene-1,2-diol
CID 117323320
[1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine
CID 117434063
6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296195
8-methyl-3,6-dihydro-1H-pyrrolo[2,3-e]indol-2-one
CID 129225319
ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole
CID 145326202
2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
CID 84790709
6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
CID 117343165
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619
1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine
CID 117416509
1-(4,6-dimethyl-1H-indol-3-yl)cyclopropan-1-amine
CID 82397432
2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
CID 117298959

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol?
The IUPAC name of 5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol (CID 96600513) is 5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol.
What is the SMILES notation for 5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol?
The canonical SMILES for 5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol is Cc1c[nH]c2ccc(C3(N)CCCC3)c(O)c12.
What is the InChIKey of 5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol?
The InChIKey is LGJCDVVHZZEWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-8-16-11-5-4-10(13(17)12(9)11)14(15)6-2-3-7-14/h4-5,8,16-17H,2-3,6-7,15H2,1H3.
What are the key properties of 5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol?
5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol has a molecular weight of 230.31 g/mol, XLogP of 2.91, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol is sourced from PubChem (CID 96600513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).