1-hexadecan-4-yl-1-phenylhydrazine

C22H40N2 — CID 175509385

IUPAC1-hexadecan-4-yl-1-phenylhydrazine
SMILESCCCCCCCCCCCCC(CCC)N(N)c1ccccc1
InChIInChI=1S/C22H40N2/c1-3-5-6-7-8-9-10-11-12-14-18-21(17-4-2)24(23)22-19-15-13-16-20-22/h13,15-16,19-21H,3-12,14,17-18,23H2,1-2H3
InChIKeyBTVNRUWBMYRLTL-UHFFFAOYSA-N
MW332.58 g/mol
LogP6.85
Rot. Bonds15

About 1-hexadecan-4-yl-1-phenylhydrazine

1-hexadecan-4-yl-1-phenylhydrazine (PubChem CID 175509385) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 1-hexadecan-4-yl-1-phenylhydrazine.

Molecular Properties

Compound Name1-hexadecan-4-yl-1-phenylhydrazine
PubChem CID175509385
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name1-hexadecan-4-yl-1-phenylhydrazine
SMILESCCCCCCCCCCCCC(CCC)N(N)c1ccccc1
InChIInChI=1S/C22H40N2/c1-3-5-6-7-8-9-10-11-12-14-18-21(17-4-2)24(23)22-19-15-13-16-20-22/h13,15-16,19-21H,3-12,14,17-18,23H2,1-2H3
InChIKeyBTVNRUWBMYRLTL-UHFFFAOYSA-N
XLogP6.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hexadecan-4-yl-N-phenylaniline
CID 174670846
N-nonadecan-10-yl-N-phenylaniline
CID 175110004
1-N,1-N'-dimethyl-1-N,1-N'-diphenylhexane-1,1-diamine
CID 165044391
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
N,N-dimethyl-1-phenyltricosan-2-amine
CID 18949477
1-phenyl-1-tetradecoxyhydrazine
CID 151258188
1-phenyldecan-1-amine
CID 43175860
[(1S)-1-phenyldecyl]hydrazine
CID 124596381
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
2-N-methyl-2-N-(2-methylphenyl)octane-1,2-diamine
CID 63465060

Frequently Asked Questions

What is the IUPAC name of 1-hexadecan-4-yl-1-phenylhydrazine?
The IUPAC name of 1-hexadecan-4-yl-1-phenylhydrazine (CID 175509385) is 1-hexadecan-4-yl-1-phenylhydrazine.
What is the SMILES notation for 1-hexadecan-4-yl-1-phenylhydrazine?
The canonical SMILES for 1-hexadecan-4-yl-1-phenylhydrazine is CCCCCCCCCCCCC(CCC)N(N)c1ccccc1.
What is the InChIKey of 1-hexadecan-4-yl-1-phenylhydrazine?
The InChIKey is BTVNRUWBMYRLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-3-5-6-7-8-9-10-11-12-14-18-21(17-4-2)24(23)22-19-15-13-16-20-22/h13,15-16,19-21H,3-12,14,17-18,23H2,1-2H3.
What are the key properties of 1-hexadecan-4-yl-1-phenylhydrazine?
1-hexadecan-4-yl-1-phenylhydrazine has a molecular weight of 332.58 g/mol, XLogP of 6.85, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecan-4-yl-1-phenylhydrazine is sourced from PubChem (CID 175509385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).