N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide

C12H21N3O2 — CID 85100157

IUPACN-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide
SMILESCC(=O)NN=C1CC2(CCN(C)CC2)OC1C
InChIInChI=1S/C12H21N3O2/c1-9-11(14-13-10(2)16)8-12(17-9)4-6-15(3)7-5-12/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyYGQNHZJVJGFHQT-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.75
Rot. Bonds1

About N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide

N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide (PubChem CID 85100157) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide
PubChem CID85100157
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide
SMILESCC(=O)NN=C1CC2(CCN(C)CC2)OC1C
InChIInChI=1S/C12H21N3O2/c1-9-11(14-13-10(2)16)8-12(17-9)4-6-15(3)7-5-12/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyYGQNHZJVJGFHQT-UHFFFAOYSA-N
XLogP0.75
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine
CID 10013905
but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane
CID 173327994
2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid
CID 67903560
(Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium
CID 142826209
[(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate
CID 54019637
but-2-enedioic acid;2-ethyl-8-methyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 67712275
(NE)-N-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine
CID 10081083
10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane
CID 10242847
(2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177161814
4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 18738818
(NZ)-N-(2,8-dimethyl-1-thia-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine
CID 87228687
methoxymethane;(NZ)-N-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine
CID 23356746

Frequently Asked Questions

What is the IUPAC name of N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide?
The IUPAC name of N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide (CID 85100157) is N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide.
What is the SMILES notation for N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide?
The canonical SMILES for N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide is CC(=O)NN=C1CC2(CCN(C)CC2)OC1C.
What is the InChIKey of N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide?
The InChIKey is YGQNHZJVJGFHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-11(14-13-10(2)16)8-12(17-9)4-6-15(3)7-5-12/h9H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide?
N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide is sourced from PubChem (CID 85100157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).