2-hex-1-ynyl-N,4-dimethylaniline

C14H19N — CID 135086230

IUPAC2-hex-1-ynyl-N,4-dimethylaniline
SMILESCCCCC#Cc1cc(C)ccc1NC
InChIInChI=1S/C14H19N/c1-4-5-6-7-8-13-11-12(2)9-10-14(13)15-3/h9-11,15H,4-6H2,1-3H3
InChIKeyGNFMXGPAKIUOJK-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.58
Rot. Bonds3

About 2-hex-1-ynyl-N,4-dimethylaniline

2-hex-1-ynyl-N,4-dimethylaniline (PubChem CID 135086230) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-hex-1-ynyl-N,4-dimethylaniline.

Molecular Properties

Compound Name2-hex-1-ynyl-N,4-dimethylaniline
PubChem CID135086230
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-hex-1-ynyl-N,4-dimethylaniline
SMILESCCCCC#Cc1cc(C)ccc1NC
InChIInChI=1S/C14H19N/c1-4-5-6-7-8-13-11-12(2)9-10-14(13)15-3/h9-11,15H,4-6H2,1-3H3
InChIKeyGNFMXGPAKIUOJK-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]butane-1-sulfonamide
CID 60814770
2,4-dimethyl-1-non-1-ynylbenzene
CID 146003256
N,N,4-trimethyl-2-oct-1-ynylaniline
CID 11564991
4-methyl-2-pent-1-ynylaniline
CID 123287058
1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea
CID 60815059
tert-butyl N-(4-fluoro-2-hex-1-ynylphenyl)carbamate
CID 166437697
2-(4-chlorobut-1-ynyl)-1-hexoxy-4-methylbenzene
CID 54860599
2-(4-chlorobut-1-ynyl)-1-heptoxy-4-methylbenzene
CID 60800464
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-2,2-dimethylpropanamide
CID 55025099
2-(5-azidopent-1-ynyl)-N-methylaniline
CID 135085956
2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide
CID 60803704
1-hept-1-ynyl-2,3-dimethylbenzene
CID 146003227

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-ynyl-N,4-dimethylaniline?
The IUPAC name of 2-hex-1-ynyl-N,4-dimethylaniline (CID 135086230) is 2-hex-1-ynyl-N,4-dimethylaniline.
What is the SMILES notation for 2-hex-1-ynyl-N,4-dimethylaniline?
The canonical SMILES for 2-hex-1-ynyl-N,4-dimethylaniline is CCCCC#Cc1cc(C)ccc1NC.
What is the InChIKey of 2-hex-1-ynyl-N,4-dimethylaniline?
The InChIKey is GNFMXGPAKIUOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-4-5-6-7-8-13-11-12(2)9-10-14(13)15-3/h9-11,15H,4-6H2,1-3H3.
What are the key properties of 2-hex-1-ynyl-N,4-dimethylaniline?
2-hex-1-ynyl-N,4-dimethylaniline has a molecular weight of 201.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-ynyl-N,4-dimethylaniline is sourced from PubChem (CID 135086230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).