[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine

C14H21ClN2O2 — CID 105204631

IUPAC[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine
SMILESC=C(CC)CC(NN)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C14H21ClN2O2/c1-5-9(2)6-12(17-16)10-7-11(15)14(19-4)13(8-10)18-3/h7-8,12,17H,2,5-6,16H2,1,3-4H3
InChIKeyQDNIKOJVDCWKKG-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.22
Rot. Bonds7

About [1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine

[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine (PubChem CID 105204631) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is [1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine
PubChem CID105204631
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine
SMILESC=C(CC)CC(NN)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C14H21ClN2O2/c1-5-9(2)6-12(17-16)10-7-11(15)14(19-4)13(8-10)18-3/h7-8,12,17H,2,5-6,16H2,1,3-4H3
InChIKeyQDNIKOJVDCWKKG-UHFFFAOYSA-N
XLogP3.22
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
CID 105204626
[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105204535
1-(3-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 79179774
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
[1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105204575
[1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105204563
1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine
CID 82923305
[1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
CID 105204625
1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine
CID 79575404
[1-(4-bromo-2-methoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105320464
[2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine
CID 105204619
[3-ethyl-1-(3,4,5-trimethoxyphenyl)pentyl]hydrazine
CID 105330965

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine?
The IUPAC name of [1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine (CID 105204631) is [1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine is C=C(CC)CC(NN)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of [1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine?
The InChIKey is QDNIKOJVDCWKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-5-9(2)6-12(17-16)10-7-11(15)14(19-4)13(8-10)18-3/h7-8,12,17H,2,5-6,16H2,1,3-4H3.
What are the key properties of [1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine?
[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine has a molecular weight of 284.79 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine is sourced from PubChem (CID 105204631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).