1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine

C19H33N3O3 — CID 3760075

IUPAC1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine
SMILESC=CCON=C(CCC)C1C(=NOCC)CC(C)(C)CC1=NOCC
InChIInChI=1S/C19H33N3O3/c1-7-11-15(20-25-12-8-2)18-16(21-23-9-3)13-19(5,6)14-17(18)22-24-10-4/h8,18H,2,7,9-14H2,1,3-6H3
InChIKeyVVKYCMXPCMOVKQ-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.57
Rot. Bonds10

About 1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine

1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine (PubChem CID 3760075) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine.

Molecular Properties

Compound Name1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine
PubChem CID3760075
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine
SMILESC=CCON=C(CCC)C1C(=NOCC)CC(C)(C)CC1=NOCC
InChIInChI=1S/C19H33N3O3/c1-7-11-15(20-25-12-8-2)18-16(21-23-9-3)13-19(5,6)14-17(18)22-24-10-4/h8,18H,2,7,9-14H2,1,3-6H3
InChIKeyVVKYCMXPCMOVKQ-UHFFFAOYSA-N
XLogP4.57
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine?
The IUPAC name of 1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine (CID 3760075) is 1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine.
What is the SMILES notation for 1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine?
The canonical SMILES for 1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine is C=CCON=C(CCC)C1C(=NOCC)CC(C)(C)CC1=NOCC.
What is the InChIKey of 1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine?
The InChIKey is VVKYCMXPCMOVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-7-11-15(20-25-12-8-2)18-16(21-23-9-3)13-19(5,6)14-17(18)22-24-10-4/h8,18H,2,7,9-14H2,1,3-6H3.
What are the key properties of 1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine?
1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine has a molecular weight of 351.49 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethoxy-5,5-dimethyl-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1,3-diimine is sourced from PubChem (CID 3760075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).