[[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine

C14H22N4 — CID 106649430

IUPAC[[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine
SMILESCc1nccc(C(NN)/C2=C/CCCCCC2)n1
InChIInChI=1S/C14H22N4/c1-11-16-10-9-13(17-11)14(18-15)12-7-5-3-2-4-6-8-12/h7,9-10,14,18H,2-6,8,15H2,1H3/b12-7+
InChIKeyXFXNXNGFWCKMHU-KPKJPENVSA-N
MW246.36 g/mol
LogP2.57
Rot. Bonds3

About [[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine

[[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine (PubChem CID 106649430) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is [[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine
PubChem CID106649430
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name[[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine
SMILESCc1nccc(C(NN)/C2=C/CCCCCC2)n1
InChIInChI=1S/C14H22N4/c1-11-16-10-9-13(17-11)14(18-15)12-7-5-3-2-4-6-8-12/h7,9-10,14,18H,2-6,8,15H2,1H3/b12-7+
InChIKeyXFXNXNGFWCKMHU-KPKJPENVSA-N
XLogP2.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]hydrazine
CID 106648892
[cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 106650233
[(5-chloro-2-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649316
[cyclohexen-1-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 106649352
[cyclohepten-1-yl-(3-methylphenyl)methyl]hydrazine
CID 106648636
[cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine
CID 106649357
[(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106649721
[(1-methylpyrazol-4-yl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260408
[cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine
CID 106650256
[cyclohexen-1-yl-(3,4-dimethylphenyl)methyl]hydrazine
CID 106650598
[cyclohepten-1-yl-(4-ethylphenyl)methyl]hydrazine
CID 106648595
[(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260527

Frequently Asked Questions

What is the IUPAC name of [[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine?
The IUPAC name of [[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine (CID 106649430) is [[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine.
What is the SMILES notation for [[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine?
The canonical SMILES for [[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine is Cc1nccc(C(NN)/C2=C/CCCCCC2)n1.
What is the InChIKey of [[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine?
The InChIKey is XFXNXNGFWCKMHU-KPKJPENVSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-16-10-9-13(17-11)14(18-15)12-7-5-3-2-4-6-8-12/h7,9-10,14,18H,2-6,8,15H2,1H3/b12-7+.
What are the key properties of [[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine?
[[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine has a molecular weight of 246.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine is sourced from PubChem (CID 106649430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).