(Z)-N-ethoxyspiro[3.3]heptan-3-imine

C9H15NO — CID 126994966

IUPAC(Z)-N-ethoxyspiro[3.3]heptan-3-imine
SMILESCCO/N=C1/CCC12CCC2
InChIInChI=1S/C9H15NO/c1-2-11-10-8-4-7-9(8)5-3-6-9/h2-7H2,1H3/b10-8-
InChIKeyHFPMXFUAWGJRDH-NTMALXAHSA-N
MW153.22 g/mol
LogP2.34
Rot. Bonds2

About (Z)-N-ethoxyspiro[3.3]heptan-3-imine

(Z)-N-ethoxyspiro[3.3]heptan-3-imine (PubChem CID 126994966) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z)-N-ethoxyspiro[3.3]heptan-3-imine.

Molecular Properties

Compound Name(Z)-N-ethoxyspiro[3.3]heptan-3-imine
PubChem CID126994966
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z)-N-ethoxyspiro[3.3]heptan-3-imine
SMILESCCO/N=C1/CCC12CCC2
InChIInChI=1S/C9H15NO/c1-2-11-10-8-4-7-9(8)5-3-6-9/h2-7H2,1H3/b10-8-
InChIKeyHFPMXFUAWGJRDH-NTMALXAHSA-N
XLogP2.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide
CID 164658776
N-ethoxyoxan-4-imine
CID 90826046
4-ethoxyimino-3-methylpyrrolidin-3-amine
CID 141348399
(Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine
CID 125476420
N-ethoxypyrrolidin-3-imine
CID 123677631
N-ethoxyazetidin-3-imine
CID 137451087
(2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol
CID 45091147
ethyl formate;1-methylcyclobutan-1-amine
CID 174536210
2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid
CID 126972582
N-ethoxy-8-azoniabicyclo[3.2.1]octan-3-imine chloride
CID 86600695
ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate
CID 45089497
1,1,3,3-tetraethoxycyclohexane
CID 151917056

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethoxyspiro[3.3]heptan-3-imine?
The IUPAC name of (Z)-N-ethoxyspiro[3.3]heptan-3-imine (CID 126994966) is (Z)-N-ethoxyspiro[3.3]heptan-3-imine.
What is the SMILES notation for (Z)-N-ethoxyspiro[3.3]heptan-3-imine?
The canonical SMILES for (Z)-N-ethoxyspiro[3.3]heptan-3-imine is CCO/N=C1/CCC12CCC2.
What is the InChIKey of (Z)-N-ethoxyspiro[3.3]heptan-3-imine?
The InChIKey is HFPMXFUAWGJRDH-NTMALXAHSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-11-10-8-4-7-9(8)5-3-6-9/h2-7H2,1H3/b10-8-.
What are the key properties of (Z)-N-ethoxyspiro[3.3]heptan-3-imine?
(Z)-N-ethoxyspiro[3.3]heptan-3-imine has a molecular weight of 153.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethoxyspiro[3.3]heptan-3-imine is sourced from PubChem (CID 126994966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).