3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine

C10H17NO — CID 45091056

IUPAC3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine
SMILESCOC1=C/C(=N/C(C)C)CCC1
InChIInChI=1S/C10H17NO/c1-8(2)11-9-5-4-6-10(7-9)12-3/h7-8H,4-6H2,1-3H3/b11-9+
InChIKeyUQJKYVPGKHVKQP-PKNBQFBNSA-N
MW167.25 g/mol
LogP2.55
Rot. Bonds2

About 3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine

3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine (PubChem CID 45091056) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine
PubChem CID45091056
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine
SMILESCOC1=C/C(=N/C(C)C)CCC1
InChIInChI=1S/C10H17NO/c1-8(2)11-9-5-4-6-10(7-9)12-3/h7-8H,4-6H2,1-3H3/b11-9+
InChIKeyUQJKYVPGKHVKQP-PKNBQFBNSA-N
XLogP2.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
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 3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine?
The IUPAC name of 3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine (CID 45091056) is 3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine.
What is the SMILES notation for 3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine?
The canonical SMILES for 3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine is COC1=C/C(=N/C(C)C)CCC1.
What is the InChIKey of 3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine?
The InChIKey is UQJKYVPGKHVKQP-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)11-9-5-4-6-10(7-9)12-3/h7-8H,4-6H2,1-3H3/b11-9+.
What are the key properties of 3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine?
3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine has a molecular weight of 167.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-ylcyclohex-2-en-1-imine is sourced from PubChem (CID 45091056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).