2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane

C12H21NO — CID 178152436

IUPAC2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane
SMILESC=C(C(C)C)N1CC2(CCOCC2)C1
InChIInChI=1S/C12H21NO/c1-10(2)11(3)13-8-12(9-13)4-6-14-7-5-12/h10H,3-9H2,1-2H3
InChIKeyYEXIKLBKDAUPGH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.27
Rot. Bonds2

About 2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane

2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 178152436) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane
PubChem CID178152436
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane
SMILESC=C(C(C)C)N1CC2(CCOCC2)C1
InChIInChI=1S/C12H21NO/c1-10(2)11(3)13-8-12(9-13)4-6-14-7-5-12/h10H,3-9H2,1-2H3
InChIKeyYEXIKLBKDAUPGH-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanimine
CID 146181648
hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 174155165
2-ethylimino-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one
CID 123550790
3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one
CID 120502174
(1-hydroxy-2,2-dimethylpropyl) 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 174155171
2-methyl-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol
CID 106159274
2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane
CID 130670173
(2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 134177581
(E)-2-[N-methyl-C-(7-oxa-2-azaspiro[3.5]nonan-2-yl)carbonimidoyl]but-2-enoic acid
CID 142511850
1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone
CID 131971579
2-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)oxolan-3-ol
CID 106103086
2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine
CID 115310351

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane (CID 178152436) is 2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane is C=C(C(C)C)N1CC2(CCOCC2)C1.
What is the InChIKey of 2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is YEXIKLBKDAUPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)11(3)13-8-12(9-13)4-6-14-7-5-12/h10H,3-9H2,1-2H3.
What are the key properties of 2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane?
2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 195.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-1-en-2-yl)-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 178152436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).