[(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine

C17H27N3O — CID 105220110

IUPAC[(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESCc1ccnc(C(NN)C2CCOC3(CCCCC3)C2)c1
InChIInChI=1S/C17H27N3O/c1-13-5-9-19-15(11-13)16(20-18)14-6-10-21-17(12-14)7-3-2-4-8-17/h5,9,11,14,16,20H,2-4,6-8,10,12,18H2,1H3
InChIKeyPSMBMNCIRBCRJD-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.02
Rot. Bonds3

About [(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine

[(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine (PubChem CID 105220110) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
PubChem CID105220110
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESCc1ccnc(C(NN)C2CCOC3(CCCCC3)C2)c1
InChIInChI=1S/C17H27N3O/c1-13-5-9-19-15(11-13)16(20-18)14-6-10-21-17(12-14)7-3-2-4-8-17/h5,9,11,14,16,20H,2-4,6-8,10,12,18H2,1H3
InChIKeyPSMBMNCIRBCRJD-UHFFFAOYSA-N
XLogP3.02
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.02
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

N-methyl-1-(4-methyl-2-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914962
(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914757
[(6-methoxypyrimidin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 102953258
[(2,5-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322196
[(5-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105325208
[(4-methyl-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105279930
[(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105257533
[furan-3-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105221431
N-methyl-1-(2-methyl-4-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106755656
[(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105325176
[(5-methylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325423
[5-oxaspiro[3.5]nonan-8-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254577

Frequently Asked Questions

What is the IUPAC name of [(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The IUPAC name of [(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine (CID 105220110) is [(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine is Cc1ccnc(C(NN)C2CCOC3(CCCCC3)C2)c1.
What is the InChIKey of [(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The InChIKey is PSMBMNCIRBCRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-5-9-19-15(11-13)16(20-18)14-6-10-21-17(12-14)7-3-2-4-8-17/h5,9,11,14,16,20H,2-4,6-8,10,12,18H2,1H3.
What are the key properties of [(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine?
[(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine has a molecular weight of 289.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105220110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).