(E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine

C13H23NO — CID 129070261

IUPAC(E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine
SMILESC=CCO/N=C(\CC(C)C)C1CCCC1
InChIInChI=1S/C13H23NO/c1-4-9-15-14-13(10-11(2)3)12-7-5-6-8-12/h4,11-12H,1,5-10H2,2-3H3/b14-13+
InChIKeyDZZVYCOUECUOIW-BUHFOSPRSA-N
MW209.33 g/mol
LogP3.78
Rot. Bonds6

About (E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine

(E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine (PubChem CID 129070261) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine.

Molecular Properties

Compound Name(E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine
PubChem CID129070261
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine
SMILESC=CCO/N=C(\CC(C)C)C1CCCC1
InChIInChI=1S/C13H23NO/c1-4-9-15-14-13(10-11(2)3)12-7-5-6-8-12/h4,11-12H,1,5-10H2,2-3H3/b14-13+
InChIKeyDZZVYCOUECUOIW-BUHFOSPRSA-N
XLogP3.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.78
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 (E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine?
The IUPAC name of (E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine (CID 129070261) is (E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine.
What is the SMILES notation for (E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine?
The canonical SMILES for (E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine is C=CCO/N=C(\CC(C)C)C1CCCC1.
What is the InChIKey of (E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine?
The InChIKey is DZZVYCOUECUOIW-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-9-15-14-13(10-11(2)3)12-7-5-6-8-12/h4,11-12H,1,5-10H2,2-3H3/b14-13+.
What are the key properties of (E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine?
(E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine has a molecular weight of 209.33 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine is sourced from PubChem (CID 129070261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).