[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine

C16H31N5 — CID 105240426

IUPAC[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine
SMILESCCn1ccnc1CC(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H31N5/c1-4-20-12-9-18-15(20)13-14(19-17)16(2,3)21-10-7-5-6-8-11-21/h9,12,14,19H,4-8,10-11,13,17H2,1-3H3
InChIKeyJRCONEDWARRGJW-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.93
Rot. Bonds6

About [3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine

[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine (PubChem CID 105240426) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is [3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine
PubChem CID105240426
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine
SMILESCCn1ccnc1CC(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H31N5/c1-4-20-12-9-18-15(20)13-14(19-17)16(2,3)21-10-7-5-6-8-11-21/h9,12,14,19H,4-8,10-11,13,17H2,1-3H3
InChIKeyJRCONEDWARRGJW-UHFFFAOYSA-N
XLogP1.93
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.93
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

[3-methyl-3-morpholin-4-yl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105240220
[3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105239944
N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine
CID 79761018
[3-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylpentan-2-yl]hydrazine
CID 105274938
1-(1-ethylimidazol-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056883
3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105009494
2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol
CID 79051803
1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
CID 105009154
N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
CID 63198335
3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79751932
[2-(1-ethylimidazol-2-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831292
[1-cycloheptyl-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105232129

Frequently Asked Questions

What is the IUPAC name of [3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine?
The IUPAC name of [3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine (CID 105240426) is [3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine.
What is the SMILES notation for [3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine?
The canonical SMILES for [3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine is CCn1ccnc1CC(NN)C(C)(C)N1CCCCCC1.
What is the InChIKey of [3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine?
The InChIKey is JRCONEDWARRGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-4-20-12-9-18-15(20)13-14(19-17)16(2,3)21-10-7-5-6-8-11-21/h9,12,14,19H,4-8,10-11,13,17H2,1-3H3.
What are the key properties of [3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine?
[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine has a molecular weight of 293.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine is sourced from PubChem (CID 105240426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).