1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine

C10H18N2 — CID 142050922

IUPAC1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CC/C=C(/C)CCC1
InChIInChI=1S/C10H18N2/c1-9-5-3-7-12(10(2)11)8-4-6-9/h5,11H,3-4,6-8H2,1-2H3/b9-5-,11-10+
InChIKeySBFFTSCACHBYEQ-CLYWSLGHSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds

About 1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine

1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine (PubChem CID 142050922) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine
PubChem CID142050922
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CC/C=C(/C)CCC1
InChIInChI=1S/C10H18N2/c1-9-5-3-7-12(10(2)11)8-4-6-9/h5,11H,3-4,6-8H2,1-2H3/b9-5-,11-10+
InChIKeySBFFTSCACHBYEQ-CLYWSLGHSA-N
XLogP2.42
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-6-fluoro-4-methylidenehept-5-enyl]-N-methylethanimidamide
CID 141963030
N,4,5,6-tetramethyl-N-propyloct-4-enimidamide
CID 123534283
1-(4-Methyl-2,3,6,7-tetrahydroazepin-1-yl)prop-2-en-1-imine
CID 137507598
(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide
CID 142083540
N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide;ethane;prop-1-ene
CID 142132141
N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide
CID 142132142
N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylethanimidamide
CID 142132215

Frequently Asked Questions

What is the IUPAC name of 1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine?
The IUPAC name of 1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine (CID 142050922) is 1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine.
What is the SMILES notation for 1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine?
The canonical SMILES for 1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine is [H]/N=C(\C)N1CC/C=C(/C)CCC1.
What is the InChIKey of 1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine?
The InChIKey is SBFFTSCACHBYEQ-CLYWSLGHSA-N. The full InChI is InChI=1S/C10H18N2/c1-9-5-3-7-12(10(2)11)8-4-6-9/h5,11H,3-4,6-8H2,1-2H3/b9-5-,11-10+.
What are the key properties of 1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine?
1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z)-5-methyl-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanimine is sourced from PubChem (CID 142050922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).