(2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine

C14H22N2O — CID 168529284

IUPAC(2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine
SMILESCCCCCOc1cc(C)c(C=NN)c(C)c1
InChIInChI=1S/C14H22N2O/c1-4-5-6-7-17-13-8-11(2)14(10-16-15)12(3)9-13/h8-10H,4-7,15H2,1-3H3
InChIKeyDJTLEKMFDOLQNH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.17
Rot. Bonds6

About (2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine

(2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine (PubChem CID 168529284) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine
PubChem CID168529284
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine
SMILESCCCCCOc1cc(C)c(C=NN)c(C)c1
InChIInChI=1S/C14H22N2O/c1-4-5-6-7-17-13-8-11(2)14(10-16-15)12(3)9-13/h8-10H,4-7,15H2,1-3H3
InChIKeyDJTLEKMFDOLQNH-UHFFFAOYSA-N
XLogP3.17
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
(3-methyl-4-pentoxyphenyl)methylidenehydrazine
CID 168529268
N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline
CID 169381913
1,3-dimethyl-2-methylsulfonyl-5-tricosoxybenzene
CID 70896677
2-tert-butyl-5-hexoxy-1,3-dimethylbenzene
CID 155766405
1,5-dihexoxy-2,3-dimethylbenzene
CID 23531654
4-hexadecoxy-2,6-dimethylbenzenesulfonic acid
CID 4082127
4-butoxy-2,6-dimethylbenzenethiol
CID 91655340
2-methyl-4-nonoxyaniline
CID 43128997
1,3,5-tributoxybenzene
CID 15933337
1,3-dimethyl-2-nitro-5-octoxybenzene
CID 18519339
(5-fluoro-2-hexoxyphenyl)methylidenehydrazine
CID 168529261

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine?
The IUPAC name of (2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine (CID 168529284) is (2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine.
What is the SMILES notation for (2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine?
The canonical SMILES for (2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine is CCCCCOc1cc(C)c(C=NN)c(C)c1.
What is the InChIKey of (2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine?
The InChIKey is DJTLEKMFDOLQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-6-7-17-13-8-11(2)14(10-16-15)12(3)9-13/h8-10H,4-7,15H2,1-3H3.
What are the key properties of (2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine?
(2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine has a molecular weight of 234.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine is sourced from PubChem (CID 168529284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).