5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol

C16H27N3O — CID 107316969

IUPAC5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol
SMILESCN1CCc2cc(C(CN)NCCCCCO)ccc21
InChIInChI=1S/C16H27N3O/c1-19-9-7-14-11-13(5-6-16(14)19)15(12-17)18-8-3-2-4-10-20/h5-6,11,15,18,20H,2-4,7-10,12,17H2,1H3
InChIKeyARVZPJOWTGTTKY-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.43
Rot. Bonds8

About 5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol

5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol (PubChem CID 107316969) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol
PubChem CID107316969
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol
SMILESCN1CCc2cc(C(CN)NCCCCCO)ccc21
InChIInChI=1S/C16H27N3O/c1-19-9-7-14-11-13(5-6-16(14)19)15(12-17)18-8-3-2-4-10-20/h5-6,11,15,18,20H,2-4,7-10,12,17H2,1H3
InChIKeyARVZPJOWTGTTKY-UHFFFAOYSA-N
XLogP1.43
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', '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-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol (CID 107316969) is 5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol is CN1CCc2cc(C(CN)NCCCCCO)ccc21.
What is the InChIKey of 5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol?
The InChIKey is ARVZPJOWTGTTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-19-9-7-14-11-13(5-6-16(14)19)15(12-17)18-8-3-2-4-10-20/h5-6,11,15,18,20H,2-4,7-10,12,17H2,1H3.
What are the key properties of 5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol?
5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 107316969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).