(2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine

C11H17N — CID 118327124

IUPAC(2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine
SMILES[H]/N=C(C(=C\C=C/C)/CC)\C1CC1
InChIInChI=1S/C11H17N/c1-3-5-6-9(4-2)11(12)10-7-8-10/h3,5-6,10,12H,4,7-8H2,1-2H3/b5-3-,9-6-,12-11-
InChIKeyOKFBMWIUZCCHAZ-RBBIWCHQSA-N
MW163.26 g/mol
LogP3.33
Rot. Bonds4

About (2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine

(2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine (PubChem CID 118327124) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine
PubChem CID118327124
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine
SMILES[H]/N=C(C(=C\C=C/C)/CC)\C1CC1
InChIInChI=1S/C11H17N/c1-3-5-6-9(4-2)11(12)10-7-8-10/h3,5-6,10,12H,4,7-8H2,1-2H3/b5-3-,9-6-,12-11-
InChIKeyOKFBMWIUZCCHAZ-RBBIWCHQSA-N
XLogP3.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine (CID 118327124) is (2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine is [H]/N=C(C(=C\C=C/C)/CC)\C1CC1.
What is the InChIKey of (2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine?
The InChIKey is OKFBMWIUZCCHAZ-RBBIWCHQSA-N. The full InChI is InChI=1S/C11H17N/c1-3-5-6-9(4-2)11(12)10-7-8-10/h3,5-6,10,12H,4,7-8H2,1-2H3/b5-3-,9-6-,12-11-.
What are the key properties of (2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine?
(2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine has a molecular weight of 163.26 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine is sourced from PubChem (CID 118327124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).