5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol

C15H22N2O — CID 168664815

IUPAC5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol
SMILESCc1ccc2[nH]c(C)c(C(N)CCCCO)c2c1
InChIInChI=1S/C15H22N2O/c1-10-6-7-14-12(9-10)15(11(2)17-14)13(16)5-3-4-8-18/h6-7,9,13,17-18H,3-5,8,16H2,1-2H3
InChIKeyOUCJMXIPKPBORG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.95
Rot. Bonds5

About 5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol

5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol (PubChem CID 168664815) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol.

Molecular Properties

Compound Name5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol
PubChem CID168664815
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol
SMILESCc1ccc2[nH]c(C)c(C(N)CCCCO)c2c1
InChIInChI=1S/C15H22N2O/c1-10-6-7-14-12(9-10)15(11(2)17-14)13(16)5-3-4-8-18/h6-7,9,13,17-18H,3-5,8,16H2,1-2H3
InChIKeyOUCJMXIPKPBORG-UHFFFAOYSA-N
XLogP2.95
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol?
The IUPAC name of 5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol (CID 168664815) is 5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol.
What is the SMILES notation for 5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol?
The canonical SMILES for 5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol is Cc1ccc2[nH]c(C)c(C(N)CCCCO)c2c1.
What is the InChIKey of 5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol?
The InChIKey is OUCJMXIPKPBORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-6-7-14-12(9-10)15(11(2)17-14)13(16)5-3-4-8-18/h6-7,9,13,17-18H,3-5,8,16H2,1-2H3.
What are the key properties of 5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol?
5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2,5-dimethyl-1H-indol-3-yl)pentan-1-ol is sourced from PubChem (CID 168664815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).