(2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine

C14H21N — CID 166976486

IUPAC(2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine
SMILESC=C(C)/N=C(/C=C(\C)C/C=C/C)C1CC1
InChIInChI=1S/C14H21N/c1-5-6-7-12(4)10-14(13-8-9-13)15-11(2)3/h5-6,10,13H,2,7-9H2,1,3-4H3/b6-5+,12-10+,15-14-
InChIKeyCPEFLKXTRNMZSB-JOSBRJBFSA-N
MW203.33 g/mol
LogP4.28
Rot. Bonds5

About (2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine

(2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine (PubChem CID 166976486) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine.

Molecular Properties

Compound Name(2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine
PubChem CID166976486
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine
SMILESC=C(C)/N=C(/C=C(\C)C/C=C/C)C1CC1
InChIInChI=1S/C14H21N/c1-5-6-7-12(4)10-14(13-8-9-13)15-11(2)3/h5-6,10,13H,2,7-9H2,1,3-4H3/b6-5+,12-10+,15-14-
InChIKeyCPEFLKXTRNMZSB-JOSBRJBFSA-N
XLogP4.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.28
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine?
The IUPAC name of (2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine (CID 166976486) is (2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine.
What is the SMILES notation for (2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine?
The canonical SMILES for (2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine is C=C(C)/N=C(/C=C(\C)C/C=C/C)C1CC1.
What is the InChIKey of (2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine?
The InChIKey is CPEFLKXTRNMZSB-JOSBRJBFSA-N. The full InChI is InChI=1S/C14H21N/c1-5-6-7-12(4)10-14(13-8-9-13)15-11(2)3/h5-6,10,13H,2,7-9H2,1,3-4H3/b6-5+,12-10+,15-14-.
What are the key properties of (2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine?
(2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine has a molecular weight of 203.33 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-1-cyclopropyl-3-methyl-N-prop-1-en-2-ylhepta-2,5-dien-1-imine is sourced from PubChem (CID 166976486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).