3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine

C11H19NO — CID 172558736

IUPAC3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine
SMILESC=CCON=C1CC(C)CC(C)C1
InChIInChI=1S/C11H19NO/c1-4-5-13-12-11-7-9(2)6-10(3)8-11/h4,9-10H,1,5-8H2,2-3H3
InChIKeyIBYFNCPRIFEJTP-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.00
Rot. Bonds3

About 3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine

3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine (PubChem CID 172558736) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine.

Molecular Properties

Compound Name3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine
PubChem CID172558736
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine
SMILESC=CCON=C1CC(C)CC(C)C1
InChIInChI=1S/C11H19NO/c1-4-5-13-12-11-7-9(2)6-10(3)8-11/h4,9-10H,1,5-8H2,2-3H3
InChIKeyIBYFNCPRIFEJTP-UHFFFAOYSA-N
XLogP3.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine?
The IUPAC name of 3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine (CID 172558736) is 3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine.
What is the SMILES notation for 3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine?
The canonical SMILES for 3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine is C=CCON=C1CC(C)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine?
The InChIKey is IBYFNCPRIFEJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-13-12-11-7-9(2)6-10(3)8-11/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine?
3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine has a molecular weight of 181.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-prop-2-enoxycyclohexan-1-imine is sourced from PubChem (CID 172558736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).