2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline

C17H27N3O — CID 105223968

IUPAC2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline
SMILESNNC(c1ccccc1N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H27N3O/c18-15-7-3-2-6-14(15)16(20-19)13-8-11-21-17(12-13)9-4-1-5-10-17/h2-3,6-7,13,16,20H,1,4-5,8-12,18-19H2
InChIKeyJQHPSABEGYYAEH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.90
Rot. Bonds3

About 2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline

2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline (PubChem CID 105223968) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline
PubChem CID105223968
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline
SMILESNNC(c1ccccc1N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H27N3O/c18-15-7-3-2-6-14(15)16(20-19)13-8-11-21-17(12-13)9-4-1-5-10-17/h2-3,6-7,13,16,20H,1,4-5,8-12,18-19H2
InChIKeyJQHPSABEGYYAEH-UHFFFAOYSA-N
XLogP2.90
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322205
[(3-chloro-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105223476
[(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107954284
[(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322135
[1-oxaspiro[5.5]undecan-4-yl(thiophen-2-yl)methyl]hydrazine
CID 105193759
[(4-methyl-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105279930
[(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105219487
4-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]-1-methylpyrazol-5-amine
CID 105230964
[(5-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105325208
[furan-3-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105221431
1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79908703
[(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325503

Frequently Asked Questions

What is the IUPAC name of 2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline?
The IUPAC name of 2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline (CID 105223968) is 2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline.
What is the SMILES notation for 2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline?
The canonical SMILES for 2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline is NNC(c1ccccc1N)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline?
The InChIKey is JQHPSABEGYYAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-15-7-3-2-6-14(15)16(20-19)13-8-11-21-17(12-13)9-4-1-5-10-17/h2-3,6-7,13,16,20H,1,4-5,8-12,18-19H2.
What are the key properties of 2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline?
2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline has a molecular weight of 289.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline is sourced from PubChem (CID 105223968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).