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

C14H25NO — CID 59350988

IUPAC(E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
SMILESC=CCO/N=C(\CC(C)(C)C)C1CCCC1
InChIInChI=1S/C14H25NO/c1-5-10-16-15-13(11-14(2,3)4)12-8-6-7-9-12/h5,12H,1,6-11H2,2-4H3/b15-13+
InChIKeyCPWXFPBVBYLQGE-FYWRMAATSA-N
MW223.36 g/mol
LogP4.17
Rot. Bonds5

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

(E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine (PubChem CID 59350988) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine.

Molecular Properties

Compound Name(E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
PubChem CID59350988
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
SMILESC=CCO/N=C(\CC(C)(C)C)C1CCCC1
InChIInChI=1S/C14H25NO/c1-5-10-16-15-13(11-14(2,3)4)12-8-6-7-9-12/h5,12H,1,6-11H2,2-4H3/b15-13+
InChIKeyCPWXFPBVBYLQGE-FYWRMAATSA-N
XLogP4.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.17
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-3,3-dimethyl-N-prop-2-enoxybutan-1-imine?
The IUPAC name of (E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine (CID 59350988) is (E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine.
What is the SMILES notation for (E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine?
The canonical SMILES for (E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine is C=CCO/N=C(\CC(C)(C)C)C1CCCC1.
What is the InChIKey of (E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine?
The InChIKey is CPWXFPBVBYLQGE-FYWRMAATSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-10-16-15-13(11-14(2,3)4)12-8-6-7-9-12/h5,12H,1,6-11H2,2-4H3/b15-13+.
What are the key properties of (E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine?
(E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine has a molecular weight of 223.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine is sourced from PubChem (CID 59350988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).