[1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine

C16H24N4O — CID 105321937

IUPAC[1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
SMILESCCn1ccnc1CC(CCOc1cccc(C)c1)NN
InChIInChI=1S/C16H24N4O/c1-3-20-9-8-18-16(20)12-14(19-17)7-10-21-15-6-4-5-13(2)11-15/h4-6,8-9,11,14,19H,3,7,10,12,17H2,1-2H3
InChIKeyPEJRVPGJKJNPOL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.05
Rot. Bonds8

About [1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine

[1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine (PubChem CID 105321937) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
PubChem CID105321937
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
SMILESCCn1ccnc1CC(CCOc1cccc(C)c1)NN
InChIInChI=1S/C16H24N4O/c1-3-20-9-8-18-16(20)12-14(19-17)7-10-21-15-6-4-5-13(2)11-15/h4-6,8-9,11,14,19H,3,7,10,12,17H2,1-2H3
InChIKeyPEJRVPGJKJNPOL-UHFFFAOYSA-N
XLogP2.05
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.05
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

N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine
CID 79751315
[4-(3-methylphenoxy)-1-phenylbutan-2-yl]hydrazine
CID 105283208
[1-(1-ethylimidazol-2-yl)-4-propoxybutan-2-yl]hydrazine
CID 105321842
[1-(3-chloro-4-pyridinyl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
CID 105314840
[6-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105294303
[5-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105298656
1-(3-methylphenoxy)hex-5-yn-3-ylhydrazine
CID 105281608
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine
CID 79751577
[1-(1-ethylimidazol-2-yl)-4-pyridin-4-ylbutan-2-yl]hydrazine
CID 105321916
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 79752662
[1-(1-ethylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226285

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine (CID 105321937) is [1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine is CCn1ccnc1CC(CCOc1cccc(C)c1)NN.
What is the InChIKey of [1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine?
The InChIKey is PEJRVPGJKJNPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-20-9-8-18-16(20)12-14(19-17)7-10-21-15-6-4-5-13(2)11-15/h4-6,8-9,11,14,19H,3,7,10,12,17H2,1-2H3.
What are the key properties of [1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine?
[1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine has a molecular weight of 288.39 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 105321937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).