3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane

C14H29N2+ — CID 162288883

IUPAC3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane
SMILESCCC1C[N+]2(CCCC2)CN1C(C)(C)CC
InChIInChI=1S/C14H29N2/c1-5-13-11-16(9-7-8-10-16)12-15(13)14(3,4)6-2/h13H,5-12H2,1-4H3/q+1
InChIKeyMZGULHOUUDFFCW-UHFFFAOYSA-N
MW225.40 g/mol
LogP2.84
Rot. Bonds3

About 3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane

3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane (PubChem CID 162288883) has the molecular formula C14H29N2+ and a molecular weight of 225.40 g/mol. Its IUPAC name is 3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane.

Molecular Properties

Compound Name3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane
PubChem CID162288883
Molecular FormulaC14H29N2+
Molecular Weight225.40 g/mol
Exact Mass225.23
IUPAC Name3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane
SMILESCCC1C[N+]2(CCCC2)CN1C(C)(C)CC
InChIInChI=1S/C14H29N2/c1-5-13-11-16(9-7-8-10-16)12-15(13)14(3,4)6-2/h13H,5-12H2,1-4H3/q+1
InChIKeyMZGULHOUUDFFCW-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2,5-diethyl-1-(2-methylbutan-2-yl)piperazine
CID 64931243
2,3-diethyl-5-azoniaspiro[4.5]decane
CID 20676422
(2R)-2-methyl-1-(2-methylbutan-2-yl)piperidine
CID 135276968
2,7-diethyl-1-methylazepane
CID 146499185
2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole
CID 89007178
1,3-bis(2-methylbutan-2-yl)azetidine
CID 176964462
4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane
CID 20676438
(1S,4S)-2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 129035492
3-methylpentan-3-ylcycloundecane
CID 123467319
1,4,7,10-tetrakis(2-methylbutan-2-yl)-1,4,7,10-tetrazacyclododecane
CID 139847650
2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol
CID 20676421
3-methyl-2-(2-methylbutan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931346

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane?
The IUPAC name of 3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane (CID 162288883) is 3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane.
What is the SMILES notation for 3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane?
The canonical SMILES for 3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane is CCC1C[N+]2(CCCC2)CN1C(C)(C)CC.
What is the InChIKey of 3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane?
The InChIKey is MZGULHOUUDFFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2/c1-5-13-11-16(9-7-8-10-16)12-15(13)14(3,4)6-2/h13H,5-12H2,1-4H3/q+1.
What are the key properties of 3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane?
3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane has a molecular weight of 225.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-methylbutan-2-yl)-2-aza-5-azoniaspiro[4.4]nonane is sourced from PubChem (CID 162288883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).