1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol

C13H20N2O — CID 107682163

IUPAC1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
SMILESNCCCCNC1CCc2cc(O)ccc21
InChIInChI=1S/C13H20N2O/c14-7-1-2-8-15-13-6-3-10-9-11(16)4-5-12(10)13/h4-5,9,13,15-16H,1-3,6-8,14H2
InChIKeyMZIPADZXPYSMQV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.71
Rot. Bonds5

About 1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol

1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682163) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682163
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
SMILESNCCCCNC1CCc2cc(O)ccc21
InChIInChI=1S/C13H20N2O/c14-7-1-2-8-15-13-6-3-10-9-11(16)4-5-12(10)13/h4-5,9,13,15-16H,1-3,6-8,14H2
InChIKeyMZIPADZXPYSMQV-UHFFFAOYSA-N
XLogP1.71
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol (CID 107682163) is 1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol is NCCCCNC1CCc2cc(O)ccc21.
What is the InChIKey of 1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is MZIPADZXPYSMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-7-1-2-8-15-13-6-3-10-9-11(16)4-5-12(10)13/h4-5,9,13,15-16H,1-3,6-8,14H2.
What are the key properties of 1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol?
1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 220.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).