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

C12H23N3O — CID 10013905

IUPACN-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine
SMILESCC1OC2(CCN(C)CC2)C/C1=N\N(C)C
InChIInChI=1S/C12H23N3O/c1-10-11(13-14(2)3)9-12(16-10)5-7-15(4)8-6-12/h10H,5-9H2,1-4H3/b13-11+
InChIKeyUKEKFISZBPDLLM-ACCUITESSA-N
MW225.34 g/mol
LogP1.18
Rot. Bonds1

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

N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine (PubChem CID 10013905) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine
PubChem CID10013905
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine
SMILESCC1OC2(CCN(C)CC2)C/C1=N\N(C)C
InChIInChI=1S/C12H23N3O/c1-10-11(13-14(2)3)9-12(16-10)5-7-15(4)8-6-12/h10H,5-9H2,1-4H3/b13-11+
InChIKeyUKEKFISZBPDLLM-ACCUITESSA-N
XLogP1.18
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.18
H-Bond Donors ≤ 50
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-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide
CID 85100157
but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane
CID 173327994
(2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177161814
(NZ)-N-(2,8-dimethyl-1-thia-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine
CID 87228687
(Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium
CID 142826209
3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane
CID 142826212
N-methyl-N-[(1-methylpiperidin-4-ylidene)amino]methanamine
CID 14906419
(2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene
CID 176830232
but-2-enedioic acid;2-ethyl-8-methyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 67712275
7-methyl-2-prop-2-enyl-1-oxa-7-azaspiro[4.4]nonan-3-one
CID 146282586
(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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine (CID 10013905) is N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine is CC1OC2(CCN(C)CC2)C/C1=N\N(C)C.
What is the InChIKey of N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine?
The InChIKey is UKEKFISZBPDLLM-ACCUITESSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-11(13-14(2)3)9-12(16-10)5-7-15(4)8-6-12/h10H,5-9H2,1-4H3/b13-11+.
What are the key properties of N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine?
N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine is sourced from PubChem (CID 10013905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).