(2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol

C9H18N2O — CID 121204293

IUPAC(2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol
SMILESNN1CC2CCCCC2(CO)C1
InChIInChI=1S/C9H18N2O/c10-11-5-8-3-1-2-4-9(8,6-11)7-12/h8,12H,1-7,10H2
InChIKeyGVWWSCLXRZPXFL-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.34
Rot. Bonds1

About (2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol

(2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol (PubChem CID 121204293) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol.

Molecular Properties

Compound Name(2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol
PubChem CID121204293
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol
SMILESNN1CC2CCCCC2(CO)C1
InChIInChI=1S/C9H18N2O/c10-11-5-8-3-1-2-4-9(8,6-11)7-12/h8,12H,1-7,10H2
InChIKeyGVWWSCLXRZPXFL-UHFFFAOYSA-N
XLogP0.34
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 121202819
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CID 121202866
CID 121202866
CID 121204277
CID 121204277
CID 121204278
CID 121204278
CID 121204279
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CID 121204280
CID 121204280

Frequently Asked Questions

What is the IUPAC name of (2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol?
The IUPAC name of (2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol (CID 121204293) is (2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol.
What is the SMILES notation for (2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol?
The canonical SMILES for (2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol is NN1CC2CCCCC2(CO)C1.
What is the InChIKey of (2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol?
The InChIKey is GVWWSCLXRZPXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-11-5-8-3-1-2-4-9(8,6-11)7-12/h8,12H,1-7,10H2.
What are the key properties of (2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol?
(2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol has a molecular weight of 170.26 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol is sourced from PubChem (CID 121204293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).