(3-methyl-4-pentoxyphenyl)methylidenehydrazine

C13H20N2O — CID 168529268

IUPAC(3-methyl-4-pentoxyphenyl)methylidenehydrazine
SMILESCCCCCOc1ccc(C=NN)cc1C
InChIInChI=1S/C13H20N2O/c1-3-4-5-8-16-13-7-6-12(10-15-14)9-11(13)2/h6-7,9-10H,3-5,8,14H2,1-2H3
InChIKeyIVNPNWUPCVOVDT-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.86
Rot. Bonds6

About (3-methyl-4-pentoxyphenyl)methylidenehydrazine

(3-methyl-4-pentoxyphenyl)methylidenehydrazine (PubChem CID 168529268) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (3-methyl-4-pentoxyphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(3-methyl-4-pentoxyphenyl)methylidenehydrazine
PubChem CID168529268
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(3-methyl-4-pentoxyphenyl)methylidenehydrazine
SMILESCCCCCOc1ccc(C=NN)cc1C
InChIInChI=1S/C13H20N2O/c1-3-4-5-8-16-13-7-6-12(10-15-14)9-11(13)2/h6-7,9-10H,3-5,8,14H2,1-2H3
InChIKeyIVNPNWUPCVOVDT-UHFFFAOYSA-N
XLogP2.86
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.86
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

(3-methyl-4-propoxyphenyl)methylidenehydrazine
CID 168529274
(3-butoxy-4-methoxyphenyl)methylidenehydrazine
CID 168529239
4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
[(4-butoxy-3-methylphenyl)methylideneamino]thiourea
CID 168534425
(3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine
CID 168529285
(5-fluoro-2-hexoxyphenyl)methylidenehydrazine
CID 168529261
(2,6-dimethyl-4-pentoxyphenyl)methylidenehydrazine
CID 168529284
(4-fluoro-3-propoxyphenyl)methylidenehydrazine
CID 168529277
4-[2-[4-[2-(3,4-didodecoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethylbenzene
CID 167643025
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
[(4-methyl-3-pentoxyphenyl)methylideneamino]thiourea
CID 168534692

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-pentoxyphenyl)methylidenehydrazine?
The IUPAC name of (3-methyl-4-pentoxyphenyl)methylidenehydrazine (CID 168529268) is (3-methyl-4-pentoxyphenyl)methylidenehydrazine.
What is the SMILES notation for (3-methyl-4-pentoxyphenyl)methylidenehydrazine?
The canonical SMILES for (3-methyl-4-pentoxyphenyl)methylidenehydrazine is CCCCCOc1ccc(C=NN)cc1C.
What is the InChIKey of (3-methyl-4-pentoxyphenyl)methylidenehydrazine?
The InChIKey is IVNPNWUPCVOVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-5-8-16-13-7-6-12(10-15-14)9-11(13)2/h6-7,9-10H,3-5,8,14H2,1-2H3.
What are the key properties of (3-methyl-4-pentoxyphenyl)methylidenehydrazine?
(3-methyl-4-pentoxyphenyl)methylidenehydrazine has a molecular weight of 220.32 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-pentoxyphenyl)methylidenehydrazine is sourced from PubChem (CID 168529268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).