N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine

C16H25N — CID 126593885

IUPACN-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine
SMILESCCC/C=C/N=C(\C)C1=C(C)C(C)C(C)C=C1
InChIInChI=1S/C16H25N/c1-6-7-8-11-17-15(5)16-10-9-12(2)13(3)14(16)4/h8-13H,6-7H2,1-5H3/b11-8+,17-15+
InChIKeyYSEVHDBXYYHYND-JDRYRXCOSA-N
MW231.38 g/mol
LogP4.92
Rot. Bonds4

About N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine

N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine (PubChem CID 126593885) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine.

Molecular Properties

Compound NameN-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine
PubChem CID126593885
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine
SMILESCCC/C=C/N=C(\C)C1=C(C)C(C)C(C)C=C1
InChIInChI=1S/C16H25N/c1-6-7-8-11-17-15(5)16-10-9-12(2)13(3)14(16)4/h8-13H,6-7H2,1-5H3/b11-8+,17-15+
InChIKeyYSEVHDBXYYHYND-JDRYRXCOSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine?
The IUPAC name of N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine (CID 126593885) is N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine.
What is the SMILES notation for N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine?
The canonical SMILES for N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine is CCC/C=C/N=C(\C)C1=C(C)C(C)C(C)C=C1.
What is the InChIKey of N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine?
The InChIKey is YSEVHDBXYYHYND-JDRYRXCOSA-N. The full InChI is InChI=1S/C16H25N/c1-6-7-8-11-17-15(5)16-10-9-12(2)13(3)14(16)4/h8-13H,6-7H2,1-5H3/b11-8+,17-15+.
What are the key properties of N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine?
N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine has a molecular weight of 231.38 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-1-enyl]-1-(2,3,4-trimethylcyclohexa-1,5-dien-1-yl)ethanimine is sourced from PubChem (CID 126593885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).