N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine

C12H17N — CID 58862023

IUPACN-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine
SMILESC/N=C1\CCCCCC2=C1C=CC2
InChIInChI=1S/C12H17N/c1-13-12-9-4-2-3-6-10-7-5-8-11(10)12/h5,8H,2-4,6-7,9H2,1H3/b13-12+
InChIKeyMFCFPIKDUCENMT-OUKQBFOZSA-N
MW175.28 g/mol
LogP3.28
Rot. Bonds

About N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine

N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine (PubChem CID 58862023) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine.

Molecular Properties

Compound NameN-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine
PubChem CID58862023
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine
SMILESC/N=C1\CCCCCC2=C1C=CC2
InChIInChI=1S/C12H17N/c1-13-12-9-4-2-3-6-10-7-5-8-11(10)12/h5,8H,2-4,6-7,9H2,1H3/b13-12+
InChIKeyMFCFPIKDUCENMT-OUKQBFOZSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.28
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-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine?
The IUPAC name of N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine (CID 58862023) is N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine.
What is the SMILES notation for N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine?
The canonical SMILES for N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine is C/N=C1\CCCCCC2=C1C=CC2.
What is the InChIKey of N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine?
The InChIKey is MFCFPIKDUCENMT-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H17N/c1-13-12-9-4-2-3-6-10-7-5-8-11(10)12/h5,8H,2-4,6-7,9H2,1H3/b13-12+.
What are the key properties of N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine?
N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine has a molecular weight of 175.28 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine is sourced from PubChem (CID 58862023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).