(E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine

C15H29NO — CID 59351025

IUPAC(E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine
SMILESCCCO/N=C(\CC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-5-11-17-16-14(12-15(2,3)4)13-9-7-6-8-10-13/h13H,5-12H2,1-4H3/b16-14+
InChIKeyZGRZMFCRUNUMPL-JQIJEIRASA-N
MW239.40 g/mol
LogP4.79
Rot. Bonds5

About (E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine

(E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine (PubChem CID 59351025) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine.

Molecular Properties

Compound Name(E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine
PubChem CID59351025
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine
SMILESCCCO/N=C(\CC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-5-11-17-16-14(12-15(2,3)4)13-9-7-6-8-10-13/h13H,5-12H2,1-4H3/b16-14+
InChIKeyZGRZMFCRUNUMPL-JQIJEIRASA-N
XLogP4.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.79
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine?
The IUPAC name of (E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine (CID 59351025) is (E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine.
What is the SMILES notation for (E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine?
The canonical SMILES for (E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine is CCCO/N=C(\CC(C)(C)C)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine?
The InChIKey is ZGRZMFCRUNUMPL-JQIJEIRASA-N. The full InChI is InChI=1S/C15H29NO/c1-5-11-17-16-14(12-15(2,3)4)13-9-7-6-8-10-13/h13H,5-12H2,1-4H3/b16-14+.
What are the key properties of (E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine?
(E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine has a molecular weight of 239.40 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine is sourced from PubChem (CID 59351025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).