3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline

C17H27N3O — CID 105322169

IUPAC3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(NN)C2CCOC3(CCC3)C2)c1
InChIInChI=1S/C17H27N3O/c1-20(2)15-6-3-5-13(11-15)16(19-18)14-7-10-21-17(12-14)8-4-9-17/h3,5-6,11,14,16,19H,4,7-10,12,18H2,1-2H3
InChIKeyKXYPCOZWIKCUHC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.61
Rot. Bonds4

About 3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline

3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline (PubChem CID 105322169) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline
PubChem CID105322169
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(NN)C2CCOC3(CCC3)C2)c1
InChIInChI=1S/C17H27N3O/c1-20(2)15-6-3-5-13(11-15)16(19-18)14-7-10-21-17(12-14)8-4-9-17/h3,5-6,11,14,16,19H,4,7-10,12,18H2,1-2H3
InChIKeyKXYPCOZWIKCUHC-UHFFFAOYSA-N
XLogP2.61
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.61
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

[3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116176
[(3,4-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105197240
[(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 103217634
[1,3-dihydro-2-benzofuran-5-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322181
[6-oxaspiro[4.5]decan-9-yl(pyridin-3-yl)methyl]hydrazine
CID 105196290
[(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322135
[(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326001
[2,6-dioxaspiro[4.5]decan-9-yl-(3-methoxyphenyl)methyl]hydrazine
CID 105191848
[(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105257533
[(2,5-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322196
[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322205
[furan-3-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105221431

Frequently Asked Questions

What is the IUPAC name of 3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline (CID 105322169) is 3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline is CN(C)c1cccc(C(NN)C2CCOC3(CCC3)C2)c1.
What is the InChIKey of 3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline?
The InChIKey is KXYPCOZWIKCUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(2)15-6-3-5-13(11-15)16(19-18)14-7-10-21-17(12-14)8-4-9-17/h3,5-6,11,14,16,19H,4,7-10,12,18H2,1-2H3.
What are the key properties of 3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline?
3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline has a molecular weight of 289.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105322169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).