N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine

C14H23N — CID 138641922

IUPACN-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine
SMILESC=CC(C)(C)C(=C/C)/C(=C\N=C)C(C)C
InChIInChI=1S/C14H23N/c1-8-13(14(5,6)9-2)12(10-15-7)11(3)4/h8-11H,2,7H2,1,3-6H3/b12-10-,13-8+
InChIKeyWJMUXILQKNQYFN-DTKJOJMOSA-N
MW205.34 g/mol
LogP4.39
Rot. Bonds5

About N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine

N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine (PubChem CID 138641922) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine
PubChem CID138641922
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine
SMILESC=CC(C)(C)C(=C/C)/C(=C\N=C)C(C)C
InChIInChI=1S/C14H23N/c1-8-13(14(5,6)9-2)12(10-15-7)11(3)4/h8-11H,2,7H2,1,3-6H3/b12-10-,13-8+
InChIKeyWJMUXILQKNQYFN-DTKJOJMOSA-N
XLogP4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine (CID 138641922) is N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine is C=CC(C)(C)C(=C/C)/C(=C\N=C)C(C)C.
What is the InChIKey of N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine?
The InChIKey is WJMUXILQKNQYFN-DTKJOJMOSA-N. The full InChI is InChI=1S/C14H23N/c1-8-13(14(5,6)9-2)12(10-15-7)11(3)4/h8-11H,2,7H2,1,3-6H3/b12-10-,13-8+.
What are the key properties of N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine?
N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine has a molecular weight of 205.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-3-ethylidene-4,4-dimethyl-2-propan-2-ylhexa-1,5-dienyl]methanimine is sourced from PubChem (CID 138641922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).