N-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine

C11H15N — CID 58862021

IUPACN-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine
SMILESC/N=C1\CCCCC2=C1C=CC2
InChIInChI=1S/C11H15N/c1-12-11-8-3-2-5-9-6-4-7-10(9)11/h4,7H,2-3,5-6,8H2,1H3/b12-11+
InChIKeyAISRBYHFXOFQCN-VAWYXSNFSA-N
MW161.25 g/mol
LogP2.89
Rot. Bonds

About N-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine

N-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine (PubChem CID 58862021) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine.

Molecular Properties

Compound NameN-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine
PubChem CID58862021
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine
SMILESC/N=C1\CCCCC2=C1C=CC2
InChIInChI=1S/C11H15N/c1-12-11-8-3-2-5-9-6-4-7-10(9)11/h4,7H,2-3,5-6,8H2,1H3/b12-11+
InChIKeyAISRBYHFXOFQCN-VAWYXSNFSA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
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 N-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine?
The IUPAC name of N-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine (CID 58862021) is N-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine.
What is the SMILES notation for N-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine?
The canonical SMILES for N-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine is C/N=C1\CCCCC2=C1C=CC2.
What is the InChIKey of N-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine?
The InChIKey is AISRBYHFXOFQCN-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H15N/c1-12-11-8-3-2-5-9-6-4-7-10(9)11/h4,7H,2-3,5-6,8H2,1H3/b12-11+.
What are the key properties of N-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine?
N-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine has a molecular weight of 161.25 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5,6,7,8-tetrahydro-1H-azulen-4-imine is sourced from PubChem (CID 58862021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).