(3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride

C18H28ClN3O3 — CID 173248162

IUPAC(3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride
SMILESCOc1ccc(C=NN)cc1OC1CCCC1.C[N+](C)(C)C=C=O.[Cl-]
InChIInChI=1S/C13H18N2O2.C5H10NO.ClH/c1-16-12-7-6-10(9-15-14)8-13(12)17-11-4-2-3-5-11;1-6(2,3)4-5-7;/h6-9,11H,2-5,14H2,1H3;4H,1-3H3;1H/q;+1;/p-1
InChIKeyZSGNDJPBLCLBBP-UHFFFAOYSA-M
MW369.89 g/mol
LogP-0.65
Rot. Bonds5

About (3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride

(3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride (PubChem CID 173248162) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is (3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride.

Molecular Properties

Compound Name(3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride
PubChem CID173248162
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name(3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride
SMILESCOc1ccc(C=NN)cc1OC1CCCC1.C[N+](C)(C)C=C=O.[Cl-]
InChIInChI=1S/C13H18N2O2.C5H10NO.ClH/c1-16-12-7-6-10(9-15-14)8-13(12)17-11-4-2-3-5-11;1-6(2,3)4-5-7;/h6-9,11H,2-5,14H2,1H3;4H,1-3H3;1H/q;+1;/p-1
InChIKeyZSGNDJPBLCLBBP-UHFFFAOYSA-M
XLogP-0.65
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
CID 58241283
2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
CID 89146119
1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
CID 54551418
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
CID 54480255
1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid
CID 110173499
(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 10106724
N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide
CID 163716487
2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625792
(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789
(3E,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3,4-dimethoxyphenyl)methylidene]piperidin-2-one
CID 67536516
ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate
CID 11462803

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride?
The IUPAC name of (3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride (CID 173248162) is (3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride.
What is the SMILES notation for (3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride?
The canonical SMILES for (3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride is COc1ccc(C=NN)cc1OC1CCCC1.C[N+](C)(C)C=C=O.[Cl-].
What is the InChIKey of (3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride?
The InChIKey is ZSGNDJPBLCLBBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H18N2O2.C5H10NO.ClH/c1-16-12-7-6-10(9-15-14)8-13(12)17-11-4-2-3-5-11;1-6(2,3)4-5-7;/h6-9,11H,2-5,14H2,1H3;4H,1-3H3;1H/q;+1;/p-1.
What are the key properties of (3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride?
(3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride has a molecular weight of 369.89 g/mol, XLogP of -0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride is sourced from PubChem (CID 173248162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).