4-(6-iodohex-3-enyl)-N,N-dimethylaniline

C14H20IN — CID 54112436

IUPAC4-(6-iodohex-3-enyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(CCC=CCCI)cc1
InChIInChI=1S/C14H20IN/c1-16(2)14-10-8-13(9-11-14)7-5-3-4-6-12-15/h3-4,8-11H,5-7,12H2,1-2H3
InChIKeyNIAPFVYPZDOZEQ-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.07
Rot. Bonds6

About 4-(6-iodohex-3-enyl)-N,N-dimethylaniline

4-(6-iodohex-3-enyl)-N,N-dimethylaniline (PubChem CID 54112436) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is 4-(6-iodohex-3-enyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6-iodohex-3-enyl)-N,N-dimethylaniline
PubChem CID54112436
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name4-(6-iodohex-3-enyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(CCC=CCCI)cc1
InChIInChI=1S/C14H20IN/c1-16(2)14-10-8-13(9-11-14)7-5-3-4-6-12-15/h3-4,8-11H,5-7,12H2,1-2H3
InChIKeyNIAPFVYPZDOZEQ-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(3-methylsilylidenepropyl)aniline
CID 123895960
N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide
CID 23455674
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
4-(9-iodonon-1-enyl)-N,N-dimethylaniline
CID 139765712
4-(5-iminopentyl)-N,N-dimethylaniline
CID 87880589
2-[4-(dimethylamino)phenyl]acetaldehyde
CID 15114335
4-heptyl-N,N-dimethylaniline
CID 20777180
[4-(dimethylamino)phenyl]methyl-λ2-stannane
CID 174712145
4-(6-bromohexyl)-N,N-dimethylaniline
CID 142754958
N,N-dimethyl-4-[2-(propan-2-ylamino)ethyl]aniline
CID 64866407
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene
CID 18958990

Frequently Asked Questions

What is the IUPAC name of 4-(6-iodohex-3-enyl)-N,N-dimethylaniline?
The IUPAC name of 4-(6-iodohex-3-enyl)-N,N-dimethylaniline (CID 54112436) is 4-(6-iodohex-3-enyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6-iodohex-3-enyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6-iodohex-3-enyl)-N,N-dimethylaniline is CN(C)c1ccc(CCC=CCCI)cc1.
What is the InChIKey of 4-(6-iodohex-3-enyl)-N,N-dimethylaniline?
The InChIKey is NIAPFVYPZDOZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-16(2)14-10-8-13(9-11-14)7-5-3-4-6-12-15/h3-4,8-11H,5-7,12H2,1-2H3.
What are the key properties of 4-(6-iodohex-3-enyl)-N,N-dimethylaniline?
4-(6-iodohex-3-enyl)-N,N-dimethylaniline has a molecular weight of 329.23 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-iodohex-3-enyl)-N,N-dimethylaniline is sourced from PubChem (CID 54112436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).