2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine

C14H25N3 — CID 126593320

IUPAC2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine
SMILES[H]/N=C(C)/C(/N=C/C(CC)C(C)C)=C(C)\N=C\C
InChIInChI=1S/C14H25N3/c1-7-13(10(3)4)9-17-14(11(5)15)12(6)16-8-2/h8-10,13,15H,7H2,1-6H3/b14-12+,15-11+,16-8+,17-9+
InChIKeyCXDPRSVROVSBEM-QGMUDTAPSA-N
MW235.37 g/mol
LogP4.10
Rot. Bonds6

About 2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine

2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine (PubChem CID 126593320) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine.

Molecular Properties

Compound Name2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine
PubChem CID126593320
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine
SMILES[H]/N=C(C)/C(/N=C/C(CC)C(C)C)=C(C)\N=C\C
InChIInChI=1S/C14H25N3/c1-7-13(10(3)4)9-17-14(11(5)15)12(6)16-8-2/h8-10,13,15H,7H2,1-6H3/b14-12+,15-11+,16-8+,17-9+
InChIKeyCXDPRSVROVSBEM-QGMUDTAPSA-N
XLogP4.10
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine?
The IUPAC name of 2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine (CID 126593320) is 2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine.
What is the SMILES notation for 2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine?
The canonical SMILES for 2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine is [H]/N=C(C)/C(/N=C/C(CC)C(C)C)=C(C)\N=C\C.
What is the InChIKey of 2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine?
The InChIKey is CXDPRSVROVSBEM-QGMUDTAPSA-N. The full InChI is InChI=1S/C14H25N3/c1-7-13(10(3)4)9-17-14(11(5)15)12(6)16-8-2/h8-10,13,15H,7H2,1-6H3/b14-12+,15-11+,16-8+,17-9+.
What are the key properties of 2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine?
2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine has a molecular weight of 235.37 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(E)-2-(ethylideneamino)-4-iminopent-2-en-3-yl]-3-methylbutan-1-imine is sourced from PubChem (CID 126593320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).