4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline

C14H21N3 — CID 105334896

IUPAC4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline
SMILESCC#CCCC(NN)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21N3/c1-4-5-6-7-14(16-15)12-8-10-13(11-9-12)17(2)3/h8-11,14,16H,6-7,15H2,1-3H3
InChIKeyIOMOWXZXVDNPFC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.06
Rot. Bonds5

About 4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline

4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline (PubChem CID 105334896) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline
PubChem CID105334896
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline
SMILESCC#CCCC(NN)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21N3/c1-4-5-6-7-14(16-15)12-8-10-13(11-9-12)17(2)3/h8-11,14,16H,6-7,15H2,1-3H3
InChIKeyIOMOWXZXVDNPFC-UHFFFAOYSA-N
XLogP2.06
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline
CID 105328860
1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine
CID 105334999
1-thiophen-3-ylhex-4-ynylhydrazine
CID 105196857
1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine
CID 105334894
1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine
CID 105335018
1-(3-bromophenyl)hex-4-ynylhydrazine
CID 105198062
1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine
CID 106756698
4-[2-(4-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105283238
1-(2,4-difluorophenyl)hex-4-ynylhydrazine
CID 105216646
4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline
CID 105314018
1-(4-bromophenyl)pent-3-ynylhydrazine
CID 105192351
1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline?
The IUPAC name of 4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline (CID 105334896) is 4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline is CC#CCCC(NN)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline?
The InChIKey is IOMOWXZXVDNPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-5-6-7-14(16-15)12-8-10-13(11-9-12)17(2)3/h8-11,14,16H,6-7,15H2,1-3H3.
What are the key properties of 4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline?
4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline has a molecular weight of 231.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline is sourced from PubChem (CID 105334896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).