N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine

C16H29N — CID 155330624

IUPACN-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine
SMILESC=C/C=C(\C)C(C)(CC)C(C)(CC)N=C(C)C
InChIInChI=1S/C16H29N/c1-9-12-14(6)15(7,10-2)16(8,11-3)17-13(4)5/h9,12H,1,10-11H2,2-8H3/b14-12+
InChIKeyVFTVOIUWWKRMLS-WYMLVPIESA-N
MW235.41 g/mol
LogP5.18
Rot. Bonds6

About N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine

N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine (PubChem CID 155330624) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine
PubChem CID155330624
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine
SMILESC=C/C=C(\C)C(C)(CC)C(C)(CC)N=C(C)C
InChIInChI=1S/C16H29N/c1-9-12-14(6)15(7,10-2)16(8,11-3)17-13(4)5/h9,12H,1,10-11H2,2-8H3/b14-12+
InChIKeyVFTVOIUWWKRMLS-WYMLVPIESA-N
XLogP5.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-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 N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine?
The IUPAC name of N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine (CID 155330624) is N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine.
What is the SMILES notation for N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine?
The canonical SMILES for N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine is C=C/C=C(\C)C(C)(CC)C(C)(CC)N=C(C)C.
What is the InChIKey of N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine?
The InChIKey is VFTVOIUWWKRMLS-WYMLVPIESA-N. The full InChI is InChI=1S/C16H29N/c1-9-12-14(6)15(7,10-2)16(8,11-3)17-13(4)5/h9,12H,1,10-11H2,2-8H3/b14-12+.
What are the key properties of N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine?
N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine has a molecular weight of 235.41 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine is sourced from PubChem (CID 155330624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).