[(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine

C17H28N4 — CID 105250162

IUPAC[(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine
SMILESCn1ccnc1C(NN)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H28N4/c1-15-6-12-7-16(2,9-15)11-17(8-12,10-15)13(20-18)14-19-4-5-21(14)3/h4-5,12-13,20H,6-11,18H2,1-3H3
InChIKeyRHLIGPSSLANYJQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.92
Rot. Bonds3

About [(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine

[(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine (PubChem CID 105250162) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is [(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine
PubChem CID105250162
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name[(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine
SMILESCn1ccnc1C(NN)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H28N4/c1-15-6-12-7-16(2,9-15)11-17(8-12,10-15)13(20-18)14-19-4-5-21(14)3/h4-5,12-13,20H,6-11,18H2,1-3H3
InChIKeyRHLIGPSSLANYJQ-UHFFFAOYSA-N
XLogP2.92
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylimidazol-2-yl)-spiro[2.2]pentan-2-ylmethyl]hydrazine
CID 164651893
bis(1-methylimidazol-2-yl)methylhydrazine
CID 105258117
1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine
CID 115860118
(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methanone
CID 79995791
1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115838051
[(1-ethoxycyclohexyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105276310
2,2,3,3-tetramethyl-N-[1-(1-methylimidazol-2-yl)ethyl]cyclopropan-1-amine
CID 79352871
[(3-methyl-1,4-dithian-2-yl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105259576
[2-cyclohexyl-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258081
[(1-methylimidazol-2-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203671
[(1-methylimidazol-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 105229949
[1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine
CID 105308338

Frequently Asked Questions

What is the IUPAC name of [(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine?
The IUPAC name of [(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine (CID 105250162) is [(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine?
The canonical SMILES for [(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine is Cn1ccnc1C(NN)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of [(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine?
The InChIKey is RHLIGPSSLANYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-15-6-12-7-16(2,9-15)11-17(8-12,10-15)13(20-18)14-19-4-5-21(14)3/h4-5,12-13,20H,6-11,18H2,1-3H3.
What are the key properties of [(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine?
[(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine has a molecular weight of 288.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dimethyl-1-adamantyl)-(1-methylimidazol-2-yl)methyl]hydrazine is sourced from PubChem (CID 105250162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).