(3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide

C16H24N2O — CID 134189032

IUPAC(3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide
SMILESC/C=C1/C(C)=C(C(=O)NCC(C)(C)C)C=C/C1=N\C
InChIInChI=1S/C16H24N2O/c1-7-12-11(2)13(8-9-14(12)17-6)15(19)18-10-16(3,4)5/h7-9H,10H2,1-6H3,(H,18,19)/b12-7-,17-14+
InChIKeySNVOFIRTOPUQNQ-CMJNPIEZSA-N
MW260.38 g/mol
LogP3.05
Rot. Bonds2

About (3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide

(3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide (PubChem CID 134189032) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide
PubChem CID134189032
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide
SMILESC/C=C1/C(C)=C(C(=O)NCC(C)(C)C)C=C/C1=N\C
InChIInChI=1S/C16H24N2O/c1-7-12-11(2)13(8-9-14(12)17-6)15(19)18-10-16(3,4)5/h7-9H,10H2,1-6H3,(H,18,19)/b12-7-,17-14+
InChIKeySNVOFIRTOPUQNQ-CMJNPIEZSA-N
XLogP3.05
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide (CID 134189032) is (3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide is C/C=C1/C(C)=C(C(=O)NCC(C)(C)C)C=C/C1=N\C.
What is the InChIKey of (3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide?
The InChIKey is SNVOFIRTOPUQNQ-CMJNPIEZSA-N. The full InChI is InChI=1S/C16H24N2O/c1-7-12-11(2)13(8-9-14(12)17-6)15(19)18-10-16(3,4)5/h7-9H,10H2,1-6H3,(H,18,19)/b12-7-,17-14+.
What are the key properties of (3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide?
(3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 134189032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).