4-(1-iodohexan-2-yl)-N,N-dimethylaniline

C14H22IN — CID 11078065

IUPAC4-(1-iodohexan-2-yl)-N,N-dimethylaniline
SMILESCCCCC(CI)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H22IN/c1-4-5-6-13(11-15)12-7-9-14(10-8-12)16(2)3/h7-10,13H,4-6,11H2,1-3H3
InChIKeyNNMVBEPLIJEQLY-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.46
Rot. Bonds6

About 4-(1-iodohexan-2-yl)-N,N-dimethylaniline

4-(1-iodohexan-2-yl)-N,N-dimethylaniline (PubChem CID 11078065) has the molecular formula C14H22IN and a molecular weight of 331.24 g/mol. Its IUPAC name is 4-(1-iodohexan-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-iodohexan-2-yl)-N,N-dimethylaniline
PubChem CID11078065
Molecular FormulaC14H22IN
Molecular Weight331.24 g/mol
Exact Mass331.08
IUPAC Name4-(1-iodohexan-2-yl)-N,N-dimethylaniline
SMILESCCCCC(CI)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H22IN/c1-4-5-6-13(11-15)12-7-9-14(10-8-12)16(2)3/h7-10,13H,4-6,11H2,1-3H3
InChIKeyNNMVBEPLIJEQLY-UHFFFAOYSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.46
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'}

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Related Compounds

4-(1-aminododecyl)-N,N-dimethylaniline
CID 154320367
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306
4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 15131768
3-[4-(dimethylamino)phenyl]-2-methylideneheptanal
CID 118953161
4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline
CID 43767467
4-[1-(ethylamino)heptyl]-N,N-dimethylaniline
CID 105126485
tris[4-(dimethylamino)phenyl]-(3-iodopropyl)phosphanium
CID 162656850
1-heptan-3-yl-4-propan-2-ylbenzene
CID 58413560
10-phenyltetradecan-5-ylbenzene
CID 22891787
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
1-fluoro-4-octan-4-ylbenzene
CID 70993007
1-methyl-4-undecan-6-ylbenzene
CID 54207407

Frequently Asked Questions

What is the IUPAC name of 4-(1-iodohexan-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(1-iodohexan-2-yl)-N,N-dimethylaniline (CID 11078065) is 4-(1-iodohexan-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-iodohexan-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1-iodohexan-2-yl)-N,N-dimethylaniline is CCCCC(CI)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(1-iodohexan-2-yl)-N,N-dimethylaniline?
The InChIKey is NNMVBEPLIJEQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN/c1-4-5-6-13(11-15)12-7-9-14(10-8-12)16(2)3/h7-10,13H,4-6,11H2,1-3H3.
What are the key properties of 4-(1-iodohexan-2-yl)-N,N-dimethylaniline?
4-(1-iodohexan-2-yl)-N,N-dimethylaniline has a molecular weight of 331.24 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-iodohexan-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 11078065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).