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

C12H19N — CID 118327151

IUPAC(2Z,4Z)-1-cyclopropyl-2-propylhexa-2,4-dien-1-imine
SMILES[H]/N=C(C(=C\C=C/C)/CCC)\C1CC1
InChIInChI=1S/C12H19N/c1-3-5-7-10(6-4-2)12(13)11-8-9-11/h3,5,7,11,13H,4,6,8-9H2,1-2H3/b5-3-,10-7-,13-12-
InChIKeyAPLUBVBMXVWLPM-QJPVUFRJSA-N
MW177.29 g/mol
LogP3.72
Rot. Bonds5

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

(2Z,4Z)-1-cyclopropyl-2-propylhexa-2,4-dien-1-imine (PubChem CID 118327151) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2Z,4Z)-1-cyclopropyl-2-propylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-1-cyclopropyl-2-propylhexa-2,4-dien-1-imine
PubChem CID118327151
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2Z,4Z)-1-cyclopropyl-2-propylhexa-2,4-dien-1-imine
SMILES[H]/N=C(C(=C\C=C/C)/CCC)\C1CC1
InChIInChI=1S/C12H19N/c1-3-5-7-10(6-4-2)12(13)11-8-9-11/h3,5,7,11,13H,4,6,8-9H2,1-2H3/b5-3-,10-7-,13-12-
InChIKeyAPLUBVBMXVWLPM-QJPVUFRJSA-N
XLogP3.72
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.72
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-propylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-1-cyclopropyl-2-propylhexa-2,4-dien-1-imine (CID 118327151) is (2Z,4Z)-1-cyclopropyl-2-propylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-1-cyclopropyl-2-propylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-1-cyclopropyl-2-propylhexa-2,4-dien-1-imine is [H]/N=C(C(=C\C=C/C)/CCC)\C1CC1.
What is the InChIKey of (2Z,4Z)-1-cyclopropyl-2-propylhexa-2,4-dien-1-imine?
The InChIKey is APLUBVBMXVWLPM-QJPVUFRJSA-N. The full InChI is InChI=1S/C12H19N/c1-3-5-7-10(6-4-2)12(13)11-8-9-11/h3,5,7,11,13H,4,6,8-9H2,1-2H3/b5-3-,10-7-,13-12-.
What are the key properties of (2Z,4Z)-1-cyclopropyl-2-propylhexa-2,4-dien-1-imine?
(2Z,4Z)-1-cyclopropyl-2-propylhexa-2,4-dien-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.72, 5 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-propylhexa-2,4-dien-1-imine is sourced from PubChem (CID 118327151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).