(E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine

C12H17N3 — CID 40610634

IUPAC(E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine
SMILESCCC/C=C(/C=Nc1ncccn1)CC
InChIInChI=1S/C12H17N3/c1-3-5-7-11(4-2)10-15-12-13-8-6-9-14-12/h6-10H,3-5H2,1-2H3/b11-7+,15-10?
InChIKeyIYSGRNHYUFMNCJ-IGSMOEKWSA-N
MW203.29 g/mol
LogP3.32
Rot. Bonds5

About (E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine

(E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine (PubChem CID 40610634) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine
PubChem CID40610634
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine
SMILESCCC/C=C(/C=Nc1ncccn1)CC
InChIInChI=1S/C12H17N3/c1-3-5-7-11(4-2)10-15-12-13-8-6-9-14-12/h6-10H,3-5H2,1-2H3/b11-7+,15-10?
InChIKeyIYSGRNHYUFMNCJ-IGSMOEKWSA-N
XLogP3.32
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine
CID 5357072
(E)-2-ethyl-N-prop-1-enylhex-2-en-1-imine
CID 177356967
[(Z)-[(Z)-2-ethylhex-2-enylidene]amino]thiourea
CID 92531930
(E)-3-hydroxy-2-[(E)-pyrimidin-2-yliminomethyl]prop-2-enal
CID 137178792
2-[(Z)-1-(4-chlorophenyl)pent-1-enyl]pyridine
CID 121005200
N-pyridin-3-ylbutan-1-imine
CID 18352171
5-ethyltetradeca-4,6-diene
CID 91339198
2-[(Z)-pent-1-enyl]pyridine
CID 45079869
3-ethyl-2,2-dimethylhept-3-ene
CID 54053277
2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine
CID 101134170
pyridin-2-ylmethyl (E)-2-propylhex-2-enoate
CID 102384711
2-ethyl-4-pyrimidin-2-ylsulfanylbut-2-enoic acid
CID 77101472

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine?
The IUPAC name of (E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine (CID 40610634) is (E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine.
What is the SMILES notation for (E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine?
The canonical SMILES for (E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine is CCC/C=C(/C=Nc1ncccn1)CC.
What is the InChIKey of (E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine?
The InChIKey is IYSGRNHYUFMNCJ-IGSMOEKWSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-5-7-11(4-2)10-15-12-13-8-6-9-14-12/h6-10H,3-5H2,1-2H3/b11-7+,15-10?.
What are the key properties of (E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine?
(E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine has a molecular weight of 203.29 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine is sourced from PubChem (CID 40610634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).