3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol

C20H31N3O — CID 175171225

IUPAC3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol
SMILESCC(C)=CCCC(C)=CCNCC(N)C1(O)CNc2ccccc21
InChIInChI=1S/C20H31N3O/c1-15(2)7-6-8-16(3)11-12-22-13-19(21)20(24)14-23-18-10-5-4-9-17(18)20/h4-5,7,9-11,19,22-24H,6,8,12-14,21H2,1-3H3
InChIKeyCBMXOKWNIYKTJQ-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.91
Rot. Bonds8

About 3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol

3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol (PubChem CID 175171225) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol.

Molecular Properties

Compound Name3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol
PubChem CID175171225
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol
SMILESCC(C)=CCCC(C)=CCNCC(N)C1(O)CNc2ccccc21
InChIInChI=1S/C20H31N3O/c1-15(2)7-6-8-16(3)11-12-22-13-19(21)20(24)14-23-18-10-5-4-9-17(18)20/h4-5,7,9-11,19,22-24H,6,8,12-14,21H2,1-3H3
InChIKeyCBMXOKWNIYKTJQ-UHFFFAOYSA-N
XLogP2.91
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol?
The IUPAC name of 3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol (CID 175171225) is 3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol.
What is the SMILES notation for 3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol?
The canonical SMILES for 3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol is CC(C)=CCCC(C)=CCNCC(N)C1(O)CNc2ccccc21.
What is the InChIKey of 3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol?
The InChIKey is CBMXOKWNIYKTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-15(2)7-6-8-16(3)11-12-22-13-19(21)20(24)14-23-18-10-5-4-9-17(18)20/h4-5,7,9-11,19,22-24H,6,8,12-14,21H2,1-3H3.
What are the key properties of 3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol?
3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol has a molecular weight of 329.49 g/mol, XLogP of 2.91, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(3,7-dimethylocta-2,6-dienylamino)ethyl]-1,2-dihydroindol-3-ol is sourced from PubChem (CID 175171225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).