1,2,3,3a,7,7a-hexahydroinden-4-imine

C9H13N — CID 90957522

IUPAC1,2,3,3a,7,7a-hexahydroinden-4-imine
SMILES[H]/N=C1\C=CCC2CCCC12
InChIInChI=1S/C9H13N/c10-9-6-2-4-7-3-1-5-8(7)9/h2,6-8,10H,1,3-5H2/b10-9+
InChIKeyNWMFRENCHLKQSC-MDZDMXLPSA-N
MW135.21 g/mol
LogP2.38
Rot. Bonds

About 1,2,3,3a,7,7a-hexahydroinden-4-imine

1,2,3,3a,7,7a-hexahydroinden-4-imine (PubChem CID 90957522) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1,2,3,3a,7,7a-hexahydroinden-4-imine.

Molecular Properties

Compound Name1,2,3,3a,7,7a-hexahydroinden-4-imine
PubChem CID90957522
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1,2,3,3a,7,7a-hexahydroinden-4-imine
SMILES[H]/N=C1\C=CCC2CCCC12
InChIInChI=1S/C9H13N/c10-9-6-2-4-7-3-1-5-8(7)9/h2,6-8,10H,1,3-5H2/b10-9+
InChIKeyNWMFRENCHLKQSC-MDZDMXLPSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,7,7a-hexahydroinden-4-imine?
The IUPAC name of 1,2,3,3a,7,7a-hexahydroinden-4-imine (CID 90957522) is 1,2,3,3a,7,7a-hexahydroinden-4-imine.
What is the SMILES notation for 1,2,3,3a,7,7a-hexahydroinden-4-imine?
The canonical SMILES for 1,2,3,3a,7,7a-hexahydroinden-4-imine is [H]/N=C1\C=CCC2CCCC12.
What is the InChIKey of 1,2,3,3a,7,7a-hexahydroinden-4-imine?
The InChIKey is NWMFRENCHLKQSC-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H13N/c10-9-6-2-4-7-3-1-5-8(7)9/h2,6-8,10H,1,3-5H2/b10-9+.
What are the key properties of 1,2,3,3a,7,7a-hexahydroinden-4-imine?
1,2,3,3a,7,7a-hexahydroinden-4-imine has a molecular weight of 135.21 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,7,7a-hexahydroinden-4-imine is sourced from PubChem (CID 90957522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).