N-methyl-1,5,6,7-tetrahydroinden-4-imine

C10H13N — CID 58862020

IUPACN-methyl-1,5,6,7-tetrahydroinden-4-imine
SMILESC/N=C1\CCCC2=C1C=CC2
InChIInChI=1S/C10H13N/c1-11-10-7-3-5-8-4-2-6-9(8)10/h2,6H,3-5,7H2,1H3/b11-10+
InChIKeyZALLRVXABXIMGJ-ZHACJKMWSA-N
MW147.22 g/mol
LogP2.50
Rot. Bonds

About N-methyl-1,5,6,7-tetrahydroinden-4-imine

N-methyl-1,5,6,7-tetrahydroinden-4-imine (PubChem CID 58862020) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-methyl-1,5,6,7-tetrahydroinden-4-imine.

Molecular Properties

Compound NameN-methyl-1,5,6,7-tetrahydroinden-4-imine
PubChem CID58862020
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-methyl-1,5,6,7-tetrahydroinden-4-imine
SMILESC/N=C1\CCCC2=C1C=CC2
InChIInChI=1S/C10H13N/c1-11-10-7-3-5-8-4-2-6-9(8)10/h2,6H,3-5,7H2,1H3/b11-10+
InChIKeyZALLRVXABXIMGJ-ZHACJKMWSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.50
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-1,5,6,7-tetrahydroinden-4-imine?
The IUPAC name of N-methyl-1,5,6,7-tetrahydroinden-4-imine (CID 58862020) is N-methyl-1,5,6,7-tetrahydroinden-4-imine.
What is the SMILES notation for N-methyl-1,5,6,7-tetrahydroinden-4-imine?
The canonical SMILES for N-methyl-1,5,6,7-tetrahydroinden-4-imine is C/N=C1\CCCC2=C1C=CC2.
What is the InChIKey of N-methyl-1,5,6,7-tetrahydroinden-4-imine?
The InChIKey is ZALLRVXABXIMGJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H13N/c1-11-10-7-3-5-8-4-2-6-9(8)10/h2,6H,3-5,7H2,1H3/b11-10+.
What are the key properties of N-methyl-1,5,6,7-tetrahydroinden-4-imine?
N-methyl-1,5,6,7-tetrahydroinden-4-imine has a molecular weight of 147.22 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,5,6,7-tetrahydroinden-4-imine is sourced from PubChem (CID 58862020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).