[3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium

C10H18NO2+ — CID 163876059

IUPAC[3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium
SMILESC=[N+]=CCC(CC(=O)O)C(C)(C)C
InChIInChI=1S/C10H17NO2/c1-10(2,3)8(5-6-11-4)7-9(12)13/h6,8H,4-5,7H2,1-3H3/p+1
InChIKeyUZIOWEQAXKQXJJ-UHFFFAOYSA-O
MW184.26 g/mol
LogP1.35
Rot. Bonds4

About [3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium

[3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium (PubChem CID 163876059) has the molecular formula C10H18NO2+ and a molecular weight of 184.26 g/mol. Its IUPAC name is [3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium.

Molecular Properties

Compound Name[3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium
PubChem CID163876059
Molecular FormulaC10H18NO2+
Molecular Weight184.26 g/mol
Exact Mass184.13
IUPAC Name[3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium
SMILESC=[N+]=CCC(CC(=O)O)C(C)(C)C
InChIInChI=1S/C10H17NO2/c1-10(2,3)8(5-6-11-4)7-9(12)13/h6,8H,4-5,7H2,1-3H3/p+1
InChIKeyUZIOWEQAXKQXJJ-UHFFFAOYSA-O
XLogP1.35
TPSA51.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid
CID 12926829
3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 12926889
trans-(1R,3S)-3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 12926890
3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 12926903
3-Ethyl-2-methanimidoylpentanoic acid
CID 53650003
(1R,cis)-2,2-dimethyl-3-((isobutoxyimino)methyl)cyclopropanecarboxylic acid
CID 53776025
2,2-Dimethyl-3-((isobutoxyimino)methyl)cyclopropanecarboxylic acid
CID 53776026
trans-(1R,3S)-3-(2,2-dimethylpropoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 53970059
3-(Methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 54212500
(1R,cis)-2,2-dimethyl-3-((methoxyimino)methyl)cyclopropanecarboxylic acid
CID 54212501
2,2,3,3-Tetramethyl-4-methyliminopentanoic acid
CID 54297920
3-Methanimidoyl-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56619789

Frequently Asked Questions

What is the IUPAC name of [3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium?
The IUPAC name of [3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium (CID 163876059) is [3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium.
What is the SMILES notation for [3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium?
The canonical SMILES for [3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium is C=[N+]=CCC(CC(=O)O)C(C)(C)C.
What is the InChIKey of [3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium?
The InChIKey is UZIOWEQAXKQXJJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)8(5-6-11-4)7-9(12)13/h6,8H,4-5,7H2,1-3H3/p+1.
What are the key properties of [3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium?
[3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium has a molecular weight of 184.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium is sourced from PubChem (CID 163876059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).