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

C14H27NO — CID 59350943

IUPAC(E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine
SMILESCCCO/N=C(\CC(C)(C)C)C1CCCC1
InChIInChI=1S/C14H27NO/c1-5-10-16-15-13(11-14(2,3)4)12-8-6-7-9-12/h12H,5-11H2,1-4H3/b15-13+
InChIKeyDRYRBZXJFVQLKI-FYWRMAATSA-N
MW225.38 g/mol
LogP4.40
Rot. Bonds5

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

(E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine (PubChem CID 59350943) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine.

Molecular Properties

Compound Name(E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine
PubChem CID59350943
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine
SMILESCCCO/N=C(\CC(C)(C)C)C1CCCC1
InChIInChI=1S/C14H27NO/c1-5-10-16-15-13(11-14(2,3)4)12-8-6-7-9-12/h12H,5-11H2,1-4H3/b15-13+
InChIKeyDRYRBZXJFVQLKI-FYWRMAATSA-N
XLogP4.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.40
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'}

Analyze (E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3,3,4,4,5,5-octamethylcyclopentanone O-ethyloxime
CID 301248
3-Nonanone, O-methyloxime, (syn or anti)
CID 9601422
3,5-Ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole
CID 13083639
(Z)-1-cyclopentyl-N-methoxy-2-methylpropan-1-imine
CID 22961957
N-(2-methylpropoxy)spiro[2.5]octan-6-imine
CID 58363223
(E)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine
CID 59350958
(NE)-N-(1-cyclopentyl-3,3-dimethylbutylidene)hydroxylamine
CID 59350972
(Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine
CID 59350981
(NZ)-N-(1-cyclopentyl-3,3-dimethylbutylidene)hydroxylamine
CID 59350982
(E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 59350988
(Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine
CID 59351000
(Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 59351009

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine?
The IUPAC name of (E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine (CID 59350943) is (E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine.
What is the SMILES notation for (E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine?
The canonical SMILES for (E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine is CCCO/N=C(\CC(C)(C)C)C1CCCC1.
What is the InChIKey of (E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine?
The InChIKey is DRYRBZXJFVQLKI-FYWRMAATSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-10-16-15-13(11-14(2,3)4)12-8-6-7-9-12/h12H,5-11H2,1-4H3/b15-13+.
What are the key properties of (E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine?
(E)-1-cyclopentyl-3,3-dimethyl-N-propoxybutan-1-imine has a molecular weight of 225.38 g/mol, XLogP of 4.40, 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-propoxybutan-1-imine is sourced from PubChem (CID 59350943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).