[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine

C16H28N4O — CID 116730417

IUPAC[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
SMILESCCOC(c1nc2c(c(NN)n1)CCCCC2)C(C)(C)C
InChIInChI=1S/C16H28N4O/c1-5-21-13(16(2,3)4)15-18-12-10-8-6-7-9-11(12)14(19-15)20-17/h13H,5-10,17H2,1-4H3,(H,18,19,20)
InChIKeyWZPGFLHHVOFKIH-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.15
Rot. Bonds4

About [2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine

[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine (PubChem CID 116730417) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
PubChem CID116730417
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
SMILESCCOC(c1nc2c(c(NN)n1)CCCCC2)C(C)(C)C
InChIInChI=1S/C16H28N4O/c1-5-21-13(16(2,3)4)15-18-12-10-8-6-7-9-11(12)14(19-15)20-17/h13H,5-10,17H2,1-4H3,(H,18,19,20)
InChIKeyWZPGFLHHVOFKIH-UHFFFAOYSA-N
XLogP3.15
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.15
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'}

Analyze [2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine with MolForge

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Related Compounds

[2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116730268
[2-[cyclohexyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777479
[2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116730274
(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine
CID 62314525
[2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777487
[2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473586
2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116730068
[2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 65137980
2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728661
2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114270687
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116728703
(2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine
CID 142163841

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine (CID 116730417) is [2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine is CCOC(c1nc2c(c(NN)n1)CCCCC2)C(C)(C)C.
What is the InChIKey of [2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is WZPGFLHHVOFKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-21-13(16(2,3)4)15-18-12-10-8-6-7-9-11(12)14(19-15)20-17/h13H,5-10,17H2,1-4H3,(H,18,19,20).
What are the key properties of [2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 292.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116730417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).