(E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine

C9H17NO — CID 88593973

IUPAC(E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine
SMILESCO/N=C1\CCCC1C(C)C
InChIInChI=1S/C9H17NO/c1-7(2)8-5-4-6-9(8)10-11-3/h7-8H,4-6H2,1-3H3/b10-9+
InChIKeyXJGYMZGNGRWPBU-MDZDMXLPSA-N
MW155.24 g/mol
LogP2.44
Rot. Bonds2

About (E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine

(E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine (PubChem CID 88593973) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine
PubChem CID88593973
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine
SMILESCO/N=C1\CCCC1C(C)C
InChIInChI=1S/C9H17NO/c1-7(2)8-5-4-6-9(8)10-11-3/h7-8H,4-6H2,1-3H3/b10-9+
InChIKeyXJGYMZGNGRWPBU-MDZDMXLPSA-N
XLogP2.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine?
The IUPAC name of (E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine (CID 88593973) is (E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine.
What is the SMILES notation for (E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine?
The canonical SMILES for (E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine is CO/N=C1\CCCC1C(C)C.
What is the InChIKey of (E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine?
The InChIKey is XJGYMZGNGRWPBU-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)8-5-4-6-9(8)10-11-3/h7-8H,4-6H2,1-3H3/b10-9+.
What are the key properties of (E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine?
(E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine has a molecular weight of 155.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine is sourced from PubChem (CID 88593973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).