N-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine

C15H23N — CID 123287059

IUPACN-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine
SMILESCC=C=CC(C)=C(C)CC/C=N/CC=CC
InChIInChI=1S/C15H23N/c1-5-7-10-14(3)15(4)11-9-13-16-12-8-6-2/h5-6,8,10,13H,9,11-12H2,1-4H3/b8-6?,15-14?,16-13+
InChIKeyBWGIYLPKRHSLGT-MLVNBEDHSA-N
MW217.36 g/mol
LogP4.48
Rot. Bonds6

About N-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine

N-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine (PubChem CID 123287059) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine.

Molecular Properties

Compound NameN-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine
PubChem CID123287059
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine
SMILESCC=C=CC(C)=C(C)CC/C=N/CC=CC
InChIInChI=1S/C15H23N/c1-5-7-10-14(3)15(4)11-9-13-16-12-8-6-2/h5-6,8,10,13H,9,11-12H2,1-4H3/b8-6?,15-14?,16-13+
InChIKeyBWGIYLPKRHSLGT-MLVNBEDHSA-N
XLogP4.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-[[(E)-but-2-enyl]iminomethyl]formamide
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CID 173098603
(4E)-2-methylhexa-1,4-diene
CID 5367524
3-methylocta-2,6-dien-1-ol
CID 57183202
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(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745

Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine?
The IUPAC name of N-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine (CID 123287059) is N-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine.
What is the SMILES notation for N-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine?
The canonical SMILES for N-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine is CC=C=CC(C)=C(C)CC/C=N/CC=CC.
What is the InChIKey of N-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine?
The InChIKey is BWGIYLPKRHSLGT-MLVNBEDHSA-N. The full InChI is InChI=1S/C15H23N/c1-5-7-10-14(3)15(4)11-9-13-16-12-8-6-2/h5-6,8,10,13H,9,11-12H2,1-4H3/b8-6?,15-14?,16-13+.
What are the key properties of N-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine?
N-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine has a molecular weight of 217.36 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-4,5-dimethylnona-4,6,7-trien-1-imine is sourced from PubChem (CID 123287059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).