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

C14H25NO — CID 59351009

IUPAC(Z)-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-SQFISAMPSA-N
MW223.36 g/mol
LogP4.17
Rot. Bonds5

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

(Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine (PubChem CID 59351009) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine.

Molecular Properties

Compound Name(Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
PubChem CID59351009
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(Z)-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-SQFISAMPSA-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'}

Analyze (Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine with MolForge

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Related Compounds

4,7,7-Trimethylbicyclo[2.2.1]heptan-2-one O-allyloxime
CID 9601368
(E)-1,7,7-trimethyl-N-prop-2-enoxybicyclo[2.2.1]heptan-2-imine
CID 13851521
(+/-)-2-(Allyloxyimino)-1,7,7-trimethyl-bicyclo(2.2.1)heptane
CID 54228190
(E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine
CID 59350943
(E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 59350988
(Z)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 59350993
(E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 59351026
(Z)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine
CID 59351027
1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine
CID 72268051
1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 72268085
1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 72268089
(E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine
CID 89059176

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine?
The IUPAC name of (Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine (CID 59351009) is (Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine.
What is the SMILES notation for (Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine?
The canonical SMILES for (Z)-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 (Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine?
The InChIKey is CPWXFPBVBYLQGE-SQFISAMPSA-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 (Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine?
(Z)-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 (Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine is sourced from PubChem (CID 59351009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).