5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol

C13H22N2O — CID 83212759

IUPAC5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol
SMILESNC1CCCc2cn(CCCCCO)cc21
InChIInChI=1S/C13H22N2O/c14-13-6-4-5-11-9-15(10-12(11)13)7-2-1-3-8-16/h9-10,13,16H,1-8,14H2
InChIKeyZZYJEEWPHMXNAD-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.99
Rot. Bonds5

About 5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol

5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol (PubChem CID 83212759) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol
PubChem CID83212759
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol
SMILESNC1CCCc2cn(CCCCCO)cc21
InChIInChI=1S/C13H22N2O/c14-13-6-4-5-11-9-15(10-12(11)13)7-2-1-3-8-16/h9-10,13,16H,1-8,14H2
InChIKeyZZYJEEWPHMXNAD-UHFFFAOYSA-N
XLogP1.99
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentanenitrile
CID 83212215
2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 114526233
2-(4,4-dimethylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 114209708
2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213099
2-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213019
2-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 83213511
3-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)-2-methylpropanamide
CID 83212936
2-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213374
2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212352
2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208236
2-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213384
2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208015

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol?
The IUPAC name of 5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol (CID 83212759) is 5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol.
What is the SMILES notation for 5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol?
The canonical SMILES for 5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol is NC1CCCc2cn(CCCCCO)cc21.
What is the InChIKey of 5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol?
The InChIKey is ZZYJEEWPHMXNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-13-6-4-5-11-9-15(10-12(11)13)7-2-1-3-8-16/h9-10,13,16H,1-8,14H2.
What are the key properties of 5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol?
5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)pentan-1-ol is sourced from PubChem (CID 83212759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).