[1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine

C13H24N4S — CID 105227664

IUPAC[1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine
SMILESCCn1ccnc1CC(CSC1CCCC1)NN
InChIInChI=1S/C13H24N4S/c1-2-17-8-7-15-13(17)9-11(16-14)10-18-12-5-3-4-6-12/h7-8,11-12,16H,2-6,9-10,14H2,1H3
InChIKeyLYEPQSHFKGGCFO-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.95
Rot. Bonds7

About [1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine

[1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine (PubChem CID 105227664) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is [1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine
PubChem CID105227664
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name[1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine
SMILESCCn1ccnc1CC(CSC1CCCC1)NN
InChIInChI=1S/C13H24N4S/c1-2-17-8-7-15-13(17)9-11(16-14)10-18-12-5-3-4-6-12/h7-8,11-12,16H,2-6,9-10,14H2,1H3
InChIKeyLYEPQSHFKGGCFO-UHFFFAOYSA-N
XLogP1.95
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(1-ethylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226285
2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 65138714
[1-cycloheptyl-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105232129
1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine
CID 79760472
[1-cyclopentylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105227639
[1-(1-ethylimidazol-2-yl)-4-propoxybutan-2-yl]hydrazine
CID 105321842
[1-cyclohexylsulfanyl-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105227768
4-cyclopentyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009415
[1-(3-ethoxycyclobutyl)-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine
CID 103170665
[1-cyclopentylsulfanyl-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105227574
1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 114530277
[1-propan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105226247

Frequently Asked Questions

What is the IUPAC name of [1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine (CID 105227664) is [1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine is CCn1ccnc1CC(CSC1CCCC1)NN.
What is the InChIKey of [1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine?
The InChIKey is LYEPQSHFKGGCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-2-17-8-7-15-13(17)9-11(16-14)10-18-12-5-3-4-6-12/h7-8,11-12,16H,2-6,9-10,14H2,1H3.
What are the key properties of [1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine?
[1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine has a molecular weight of 268.43 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105227664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).