N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine

C15H25N — CID 134565911

IUPACN-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine
SMILESC=C/C(C)=C\N=C(/C=C)CCCCCCC
InChIInChI=1S/C15H25N/c1-5-8-9-10-11-12-15(7-3)16-13-14(4)6-2/h6-7,13H,2-3,5,8-12H2,1,4H3/b14-13-,16-15+
InChIKeyGYZAPNZUMFMLAJ-DHEZTBRESA-N
MW219.37 g/mol
LogP5.06
Rot. Bonds9

About N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine

N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine (PubChem CID 134565911) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine.

Molecular Properties

Compound NameN-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine
PubChem CID134565911
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine
SMILESC=C/C(C)=C\N=C(/C=C)CCCCCCC
InChIInChI=1S/C15H25N/c1-5-8-9-10-11-12-15(7-3)16-13-14(4)6-2/h6-7,13H,2-3,5,8-12H2,1,4H3/b14-13-,16-15+
InChIKeyGYZAPNZUMFMLAJ-DHEZTBRESA-N
XLogP5.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500219.37
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine?
The IUPAC name of N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine (CID 134565911) is N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine.
What is the SMILES notation for N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine?
The canonical SMILES for N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine is C=C/C(C)=C\N=C(/C=C)CCCCCCC.
What is the InChIKey of N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine?
The InChIKey is GYZAPNZUMFMLAJ-DHEZTBRESA-N. The full InChI is InChI=1S/C15H25N/c1-5-8-9-10-11-12-15(7-3)16-13-14(4)6-2/h6-7,13H,2-3,5,8-12H2,1,4H3/b14-13-,16-15+.
What are the key properties of N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine?
N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine has a molecular weight of 219.37 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2-methylbuta-1,3-dienyl]dec-1-en-3-imine is sourced from PubChem (CID 134565911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).