1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine

C11H18N2 — CID 171376061

IUPAC1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine
SMILES[H]/N=C1\CCN(C)C2=C1CCCCC2
InChIInChI=1S/C11H18N2/c1-13-8-7-10(12)9-5-3-2-4-6-11(9)13/h12H,2-8H2,1H3/b12-10+
InChIKeyUQMUDIYEPGTAMX-ZRDIBKRKSA-N
MW178.28 g/mol
LogP2.56
Rot. Bonds

About 1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine

1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine (PubChem CID 171376061) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine.

Molecular Properties

Compound Name1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine
PubChem CID171376061
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine
SMILES[H]/N=C1\CCN(C)C2=C1CCCCC2
InChIInChI=1S/C11H18N2/c1-13-8-7-10(12)9-5-3-2-4-6-11(9)13/h12H,2-8H2,1H3/b12-10+
InChIKeyUQMUDIYEPGTAMX-ZRDIBKRKSA-N
XLogP2.56
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine?
The IUPAC name of 1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine (CID 171376061) is 1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine.
What is the SMILES notation for 1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine?
The canonical SMILES for 1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine is [H]/N=C1\CCN(C)C2=C1CCCCC2.
What is the InChIKey of 1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine?
The InChIKey is UQMUDIYEPGTAMX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H18N2/c1-13-8-7-10(12)9-5-3-2-4-6-11(9)13/h12H,2-8H2,1H3/b12-10+.
What are the key properties of 1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine?
1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine has a molecular weight of 178.28 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-4-imine is sourced from PubChem (CID 171376061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).