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

C16H26N4O — CID 116777686

IUPAC[2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
SMILESCOC1(c2nc3c(c(NN)n2)CCCCC3)CCCCC1
InChIInChI=1S/C16H26N4O/c1-21-16(10-6-3-7-11-16)15-18-13-9-5-2-4-8-12(13)14(19-15)20-17/h2-11,17H2,1H3,(H,18,19,20)
InChIKeyYRKCKPCTIAQYDO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.84
Rot. Bonds3

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

[2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine (PubChem CID 116777686) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
PubChem CID116777686
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
SMILESCOC1(c2nc3c(c(NN)n2)CCCCC3)CCCCC1
InChIInChI=1S/C16H26N4O/c1-21-16(10-6-3-7-11-16)15-18-13-9-5-2-4-8-12(13)14(19-15)20-17/h2-11,17H2,1H3,(H,18,19,20)
InChIKeyYRKCKPCTIAQYDO-UHFFFAOYSA-N
XLogP2.84
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.84
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-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine with MolForge

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Related Compounds

[2-(1-methoxy-3-methylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777478
2-(1-methoxycycloheptyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116776251
2-(1-methoxycycloheptyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775684
[2-(1-ethoxycyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777476
4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 116745833
2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116776019
2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116775726
[2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 63078304
2-(1-methoxy-4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116775540
(2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine
CID 142163841
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
CID 116776105
2-(1-methoxycyclopentyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136773820

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine (CID 116777686) is [2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine is COC1(c2nc3c(c(NN)n2)CCCCC3)CCCCC1.
What is the InChIKey of [2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is YRKCKPCTIAQYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-21-16(10-6-3-7-11-16)15-18-13-9-5-2-4-8-12(13)14(19-15)20-17/h2-11,17H2,1H3,(H,18,19,20).
What are the key properties of [2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
[2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 290.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116777686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).