N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine

C15H25N — CID 129127582

IUPACN-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine
SMILESC=C/C=C\N=C(/C=C)C(CCC)CCCC
InChIInChI=1S/C15H25N/c1-5-9-12-14(11-7-3)15(8-4)16-13-10-6-2/h6,8,10,13-14H,2,4-5,7,9,11-12H2,1,3H3/b13-10-,16-15+
InChIKeyDRIHDGJHZTYWIG-IKKSVTPCSA-N
MW219.37 g/mol
LogP4.92
Rot. Bonds9

About N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine

N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine (PubChem CID 129127582) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine
PubChem CID129127582
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine
SMILESC=C/C=C\N=C(/C=C)C(CCC)CCCC
InChIInChI=1S/C15H25N/c1-5-9-12-14(11-7-3)15(8-4)16-13-10-6-2/h6,8,10,13-14H,2,4-5,7,9,11-12H2,1,3H3/b13-10-,16-15+
InChIKeyDRIHDGJHZTYWIG-IKKSVTPCSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.92
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'}

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Related Compounds

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CID 14979254
2-methyl-3-propyl-3H-pyrrole
CID 20806847
2-(Cyclohexylmethyl)azocine
CID 57248852
2-butan-2-yl-3H-pyrrole
CID 58559892
2-(2-methylpropyl)-3H-pyrrole
CID 59447839
N-[(Z)-4-(3-methylbutan-2-yl)-5-propyloct-1-enyl]butan-2-imine
CID 89044940
(4S)-2-ethyl-4-methyl-3,4-dihydropyridine
CID 89163833
N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine
CID 89200155
2,3-di(propan-2-yl)-3H-pyrrole
CID 89447260
N-[(1E)-9-ethenylidene-3-methyl-8-methylidene-2-pent-4-en-2-ylpentadeca-1,14-dienyl]propan-2-imine
CID 123309160

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine (CID 129127582) is N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine is C=C/C=C\N=C(/C=C)C(CCC)CCCC.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine?
The InChIKey is DRIHDGJHZTYWIG-IKKSVTPCSA-N. The full InChI is InChI=1S/C15H25N/c1-5-9-12-14(11-7-3)15(8-4)16-13-10-6-2/h6,8,10,13-14H,2,4-5,7,9,11-12H2,1,3H3/b13-10-,16-15+.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine?
N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine has a molecular weight of 219.37 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]-4-propyloct-1-en-3-imine is sourced from PubChem (CID 129127582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).