4-(9-iodonon-1-enyl)-N,N-dimethylaniline

C17H26IN — CID 139765712

IUPAC4-(9-iodonon-1-enyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=CCCCCCCCI)cc1
InChIInChI=1S/C17H26IN/c1-19(2)17-13-11-16(12-14-17)10-8-6-4-3-5-7-9-15-18/h8,10-14H,3-7,9,15H2,1-2H3
InChIKeyFHHYTHHUEXIDID-UHFFFAOYSA-N
MW371.31 g/mol
LogP5.54
Rot. Bonds9

About 4-(9-iodonon-1-enyl)-N,N-dimethylaniline

4-(9-iodonon-1-enyl)-N,N-dimethylaniline (PubChem CID 139765712) has the molecular formula C17H26IN and a molecular weight of 371.31 g/mol. Its IUPAC name is 4-(9-iodonon-1-enyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(9-iodonon-1-enyl)-N,N-dimethylaniline
PubChem CID139765712
Molecular FormulaC17H26IN
Molecular Weight371.31 g/mol
Exact Mass371.11
IUPAC Name4-(9-iodonon-1-enyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=CCCCCCCCI)cc1
InChIInChI=1S/C17H26IN/c1-19(2)17-13-11-16(12-14-17)10-8-6-4-3-5-7-9-15-18/h8,10-14H,3-7,9,15H2,1-2H3
InChIKeyFHHYTHHUEXIDID-UHFFFAOYSA-N
XLogP5.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.31
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(9-iodonon-1-enyl)-N,N-dimethylaniline?
The IUPAC name of 4-(9-iodonon-1-enyl)-N,N-dimethylaniline (CID 139765712) is 4-(9-iodonon-1-enyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(9-iodonon-1-enyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(9-iodonon-1-enyl)-N,N-dimethylaniline is CN(C)c1ccc(C=CCCCCCCCI)cc1.
What is the InChIKey of 4-(9-iodonon-1-enyl)-N,N-dimethylaniline?
The InChIKey is FHHYTHHUEXIDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26IN/c1-19(2)17-13-11-16(12-14-17)10-8-6-4-3-5-7-9-15-18/h8,10-14H,3-7,9,15H2,1-2H3.
What are the key properties of 4-(9-iodonon-1-enyl)-N,N-dimethylaniline?
4-(9-iodonon-1-enyl)-N,N-dimethylaniline has a molecular weight of 371.31 g/mol, XLogP of 5.54, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-iodonon-1-enyl)-N,N-dimethylaniline is sourced from PubChem (CID 139765712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).