(Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium

C17H25N2O2+ — CID 142826209

IUPAC(Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium
SMILESCC1OC2(CCN(C)CC2)C/C1=[N+](/O)Cc1ccccc1
InChIInChI=1S/C17H25N2O2/c1-14-16(19(20)13-15-6-4-3-5-7-15)12-17(21-14)8-10-18(2)11-9-17/h3-7,14,20H,8-13H2,1-2H3/q+1/b19-16-
InChIKeyCIDHCGIWNHURSW-MNDPQUGUSA-N
MW289.40 g/mol
LogP2.30
Rot. Bonds2

About (Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium

(Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium (PubChem CID 142826209) has the molecular formula C17H25N2O2+ and a molecular weight of 289.40 g/mol. Its IUPAC name is (Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium.

Molecular Properties

Compound Name(Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium
PubChem CID142826209
Molecular FormulaC17H25N2O2+
Molecular Weight289.40 g/mol
Exact Mass289.19
IUPAC Name(Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium
SMILESCC1OC2(CCN(C)CC2)C/C1=[N+](/O)Cc1ccccc1
InChIInChI=1S/C17H25N2O2/c1-14-16(19(20)13-15-6-4-3-5-7-15)12-17(21-14)8-10-18(2)11-9-17/h3-7,14,20H,8-13H2,1-2H3/q+1/b19-16-
InChIKeyCIDHCGIWNHURSW-MNDPQUGUSA-N
XLogP2.30
TPSA35.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070238
3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane
CID 142826212
5-benzyl-1'-methylspiro[2,7-dioxa-5-azabicyclo[4.1.0]heptane-3,4'-piperidine]
CID 163922660
2-methyl-4,9-bis(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562325
but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane
CID 173327994
but-2-enedioic acid;2-ethyl-8-methyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 67712275
4-benzyl-1-methylpiperidin-4-amine
CID 39065776
1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride
CID 169435400
N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine
CID 10013905
1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid
CID 10037618
N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide
CID 85100157

Frequently Asked Questions

What is the IUPAC name of (Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium?
The IUPAC name of (Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium (CID 142826209) is (Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium.
What is the SMILES notation for (Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium?
The canonical SMILES for (Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium is CC1OC2(CCN(C)CC2)C/C1=[N+](/O)Cc1ccccc1.
What is the InChIKey of (Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium?
The InChIKey is CIDHCGIWNHURSW-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H25N2O2/c1-14-16(19(20)13-15-6-4-3-5-7-15)12-17(21-14)8-10-18(2)11-9-17/h3-7,14,20H,8-13H2,1-2H3/q+1/b19-16-.
What are the key properties of (Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium?
(Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium has a molecular weight of 289.40 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium is sourced from PubChem (CID 142826209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).